1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide

C14H21NO3S2 — CID 106001768

IUPAC1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide
SMILESCSC1CCC(NS(=O)(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C14H21NO3S2/c1-19-14-7-6-13(8-14)15-20(17,18)10-12-4-2-11(9-16)3-5-12/h2-5,13-16H,6-10H2,1H3
InChIKeyGXRKWVAYNXMROT-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.88
Rot. Bonds6

About 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide

1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide (PubChem CID 106001768) has the molecular formula C14H21NO3S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide
PubChem CID106001768
Molecular FormulaC14H21NO3S2
Molecular Weight315.46 g/mol
Exact Mass315.10
IUPAC Name1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide
SMILESCSC1CCC(NS(=O)(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C14H21NO3S2/c1-19-14-7-6-13(8-14)15-20(17,18)10-12-4-2-11(9-16)3-5-12/h2-5,13-16H,6-10H2,1H3
InChIKeyGXRKWVAYNXMROT-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-2-methoxy-N-(3-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001705
1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001484
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
CID 106000954
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
CID 29041609
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide (CID 106001768) is 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide is CSC1CCC(NS(=O)(=O)Cc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide?
The InChIKey is GXRKWVAYNXMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S2/c1-19-14-7-6-13(8-14)15-20(17,18)10-12-4-2-11(9-16)3-5-12/h2-5,13-16H,6-10H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide?
1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide has a molecular weight of 315.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 106001768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).