2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide

C13H20N2O3S — CID 106362109

IUPAC2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NC1CCCC1CO
InChIInChI=1S/C13H20N2O3S/c1-14-19(17,18)13-8-3-2-6-12(13)15-11-7-4-5-10(11)9-16/h2-3,6,8,10-11,14-16H,4-5,7,9H2,1H3
InChIKeyOOVFXICYQNTVRT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.17
Rot. Bonds5

About 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide

2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide (PubChem CID 106362109) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
PubChem CID106362109
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NC1CCCC1CO
InChIInChI=1S/C13H20N2O3S/c1-14-19(17,18)13-8-3-2-6-12(13)15-11-7-4-5-10(11)9-16/h2-3,6,8,10-11,14-16H,4-5,7,9H2,1H3
InChIKeyOOVFXICYQNTVRT-UHFFFAOYSA-N
XLogP1.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-propylsulfonylanilino)cyclohexyl]methanol
CID 106362332
2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
CID 100666033
4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362103
N-methyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695588
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 64921417
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
N-(2-ethylcyclohexyl)-2-propylsulfonylaniline
CID 61470216
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
CID 64815678

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide (CID 106362109) is 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NC1CCCC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide?
The InChIKey is OOVFXICYQNTVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-14-19(17,18)13-8-3-2-6-12(13)15-11-7-4-5-10(11)9-16/h2-3,6,8,10-11,14-16H,4-5,7,9H2,1H3.
What are the key properties of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide?
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106362109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).