N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide

C15H24N2O3S — CID 62525659

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)CCc2ccncc2)C1
InChIInChI=1S/C15H24N2O3S/c1-13-3-2-7-15(11-13,12-18)17-21(19,20)10-6-14-4-8-16-9-5-14/h4-5,8-9,13,17-18H,2-3,6-7,10-12H2,1H3
InChIKeyRQFFCGMCJACINM-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.48
Rot. Bonds6

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide (PubChem CID 62525659) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide
PubChem CID62525659
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)CCc2ccncc2)C1
InChIInChI=1S/C15H24N2O3S/c1-13-3-2-7-15(11-13,12-18)17-21(19,20)10-6-14-4-8-16-9-5-14/h4-5,8-9,13,17-18H,2-3,6-7,10-12H2,1H3
InChIKeyRQFFCGMCJACINM-UHFFFAOYSA-N
XLogP1.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
CID 62519905
3-methyl-1-(2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 79425636
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527401
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
CID 55231623
3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62527798
[3-methyl-1-(2-pyridin-3-ylethylamino)cyclohexyl]methanol
CID 63265044
4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527220
4-amino-2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525701
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide (CID 62525659) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide is CC1CCCC(CO)(NS(=O)(=O)CCc2ccncc2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide?
The InChIKey is RQFFCGMCJACINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-3-2-7-15(11-13,12-18)17-21(19,20)10-6-14-4-8-16-9-5-14/h4-5,8-9,13,17-18H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 62525659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).