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2-Methanesulfonyl-N-methylcyclohexan-1-amine

CAT: 0926-TDC63868-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-TDC63868-01Size:100 mg
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CAS Number
1343638-68-5
MDL Number
MFCD16871270
Smiles
CNC1CCCCC1S (=O) (=O) C
Molecular Formula
C8H17NO2S
Molecular Weight
191.29 g/mol
Controlled
No

Chemical Information

2-methanesulfonyl-N-methylcyclohexan-1-amine
CAS Number1343638-68-5
PubChem CID14615345
IUPAC NameN-methyl-2-methylsulfonylcyclohexan-1-amine
Molecular FormulaC8H17NO2S
Molecular Weight191.29
XLogP1.1
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity230
SMILES
CNC1CCCCC1S(=O)(=O)C
InChI
InChI=1S/C8H17NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h7-9H,3-6H2,1-2H3
InChIKey
QSOXLKJJIZJVNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methanesulfonyl-N-methylcyclohexan-1-amine
CAS: 1343638-68-5
CID: 14615345
Formula: C8H17NO2S
MW: 191.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.29
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass191.09799996
Monoisotopic Mass191.09799996
Topological Polar Surface Area54.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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