[4-(hydroxymethyl)cyclohexyl]methanesulfonamide

C8H17NO3S — CID 57070298

IUPAC[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCC(CO)CC1
InChIInChI=1S/C8H17NO3S/c9-13(11,12)6-8-3-1-7(5-10)2-4-8/h7-8,10H,1-6H2,(H2,9,11,12)
InChIKeyBZMAEZUUCIZGJV-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.07
Rot. Bonds3

About [4-(hydroxymethyl)cyclohexyl]methanesulfonamide

[4-(hydroxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 57070298) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
PubChem CID57070298
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCC(CO)CC1
InChIInChI=1S/C8H17NO3S/c9-13(11,12)6-8-3-1-7(5-10)2-4-8/h7-8,10H,1-6H2,(H2,9,11,12)
InChIKeyBZMAEZUUCIZGJV-UHFFFAOYSA-N
XLogP0.07
TPSA80.39 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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of [4-(hydroxymethyl)cyclohexyl]methanesulfonamide (CID 57070298) is [4-(hydroxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for [4-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for [4-(hydroxymethyl)cyclohexyl]methanesulfonamide is NS(=O)(=O)CC1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is BZMAEZUUCIZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c9-13(11,12)6-8-3-1-7(5-10)2-4-8/h7-8,10H,1-6H2,(H2,9,11,12).
What are the key properties of [4-(hydroxymethyl)cyclohexyl]methanesulfonamide?
[4-(hydroxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 57070298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).