N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide

C8H17NO3S — CID 130538237

IUPACN-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC(CO)C1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)9-8-4-2-3-7(5-8)6-10/h7-10H,2-6H2,1H3
InChIKeyMDZLQYOLMZCZSV-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.09
Rot. Bonds3

About N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide

N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 130538237) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide
PubChem CID130538237
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC(CO)C1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)9-8-4-2-3-7(5-8)6-10/h7-10H,2-6H2,1H3
InChIKeyMDZLQYOLMZCZSV-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutylmethanol;methanesulfonic acid
CID 71380993
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107
N-[3-(aminomethyl)cyclopentyl]methanesulfonamide
CID 130922064
N-cycloheptylmethanesulfonamide
CID 3113423
N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide
CID 131186425
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 129369369
N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide
CID 123742390
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
N-[(1S,3S)-3-(ethylamino)cyclopentyl]methanesulfonamide
CID 121358992
N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide
CID 121357655
2-amino-N-(3-ethylcyclohexyl)ethanesulfonamide
CID 64749798

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide (CID 130538237) is N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCCC(CO)C1.
What is the InChIKey of N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is MDZLQYOLMZCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)9-8-4-2-3-7(5-8)6-10/h7-10H,2-6H2,1H3.
What are the key properties of N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide?
N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 130538237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).