N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide

C10H21NO2S — CID 58841024

IUPACN-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide
SMILESCC(C)[C@H]1CCC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyJDJDESLZACFHRI-UWVGGRQHSA-N
MW219.35 g/mol
LogP1.75
Rot. Bonds3

About N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide

N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide (PubChem CID 58841024) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide
PubChem CID58841024
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide
SMILESCC(C)[C@H]1CCC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyJDJDESLZACFHRI-UWVGGRQHSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 3025226
sodium N-(2-propan-2-ylcyclohexyl)sulfamate
CID 23663564
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-cyclohexylcyclopropyl)methanesulfonamide
CID 71997365
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 58689137
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]butane-1-sulfonamide
CID 129420144
N-[(2-fluoro-2-methylcyclohexyl)methyl]methanesulfonamide
CID 162070204
N-[4-({4-[(methylsulfonyl)amino]cyclohexyl}methyl)cyclohexyl]methanesulfonamide
CID 4692066
N-(6-methylheptan-2-yl)methanesulfonamide
CID 2916151

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide (CID 58841024) is N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide is CC(C)[C@H]1CCC[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide?
The InChIKey is JDJDESLZACFHRI-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)9-5-4-6-10(7-9)11-14(3,12)13/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide?
N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-propan-2-ylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 58841024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).