N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide

C9H19NO3S — CID 86708972

IUPACN-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CO
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h8-11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyGXQSOHGEMOLRES-BDAKNGLRSA-N
MW221.32 g/mol
LogP0.48
Rot. Bonds4

About N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide

N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide (PubChem CID 86708972) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
PubChem CID86708972
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H]1CCCC[C@@H]1CO
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h8-11H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyGXQSOHGEMOLRES-BDAKNGLRSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate
CID 113340135
1-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697794
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
[2-(propylsulfamoylamino)cyclopentyl]methanol
CID 106364586
N-[2-(hydroxymethyl)cyclopentyl]cyclopropanesulfonamide
CID 103835909
N-(2-propan-2-ylcyclohexyl)ethanesulfonamide
CID 59292409
[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol
CID 106543952
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 106358787
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide (CID 86708972) is N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide is CCS(=O)(=O)N[C@H]1CCCC[C@@H]1CO.
What is the InChIKey of N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide?
The InChIKey is GXQSOHGEMOLRES-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-14(12,13)10-9-6-4-3-5-8(9)7-11/h8-11H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide?
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 86708972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).