1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide

C14H21NO3S2 — CID 106001484

IUPAC1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C14H21NO3S2/c1-19-14-4-2-3-13(14)15-20(17,18)10-12-7-5-11(9-16)6-8-12/h5-8,13-16H,2-4,9-10H2,1H3
InChIKeyWSKRGJJZSXMLAM-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.88
Rot. Bonds6

About 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide

1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide (PubChem CID 106001484) has the molecular formula C14H21NO3S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
PubChem CID106001484
Molecular FormulaC14H21NO3S2
Molecular Weight315.46 g/mol
Exact Mass315.10
IUPAC Name1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C14H21NO3S2/c1-19-14-4-2-3-13(14)15-20(17,18)10-12-7-5-11(9-16)6-8-12/h5-8,13-16H,2-4,9-10H2,1H3
InChIKeyWSKRGJJZSXMLAM-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)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001768
4-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001293
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 106358787
2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106001307
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
CID 106002315
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
CID 105055808
[4-(cyclopentylsulfonylmethyl)phenyl]methanol
CID 110004765

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide (CID 106001484) is 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide is CSC1CCCC1NS(=O)(=O)Cc1ccc(CO)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide?
The InChIKey is WSKRGJJZSXMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S2/c1-19-14-4-2-3-13(14)15-20(17,18)10-12-7-5-11(9-16)6-8-12/h5-8,13-16H,2-4,9-10H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide?
1-[4-(hydroxymethyl)phenyl]-N-(2-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-(2-methylsulfanylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 106001484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).