4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide

C14H22N2O3S — CID 115360724

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2(CO)CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-20(18,19)13-6-4-12(5-7-13)16-10-14(11-17)8-2-3-9-14/h4-7,15-17H,2-3,8-11H2,1H3
InChIKeyCTQYAXDGYVEBBE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.56
Rot. Bonds6

About 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide

4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide (PubChem CID 115360724) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
PubChem CID115360724
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2(CO)CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-20(18,19)13-6-4-12(5-7-13)16-10-14(11-17)8-2-3-9-14/h4-7,15-17H,2-3,8-11H2,1H3
InChIKeyCTQYAXDGYVEBBE-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115360710
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
CID 81413347
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
3-(4-acetamidophenyl)sulfonyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631466

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide (CID 115360724) is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCC2(CO)CCCC2)cc1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide?
The InChIKey is CTQYAXDGYVEBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15-20(18,19)13-6-4-12(5-7-13)16-10-14(11-17)8-2-3-9-14/h4-7,15-17H,2-3,8-11H2,1H3.
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide?
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 115360724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).