4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide

C14H22N2O3S — CID 114952048

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-20(18,19)13-7-5-12(6-8-13)16(2)11-14(17)9-3-4-10-14/h5-8,15,17H,3-4,9-11H2,1-2H3
InChIKeyOHUBVOXYEAEUQS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds5

About 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide

4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide (PubChem CID 114952048) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
PubChem CID114952048
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-20(18,19)13-7-5-12(6-8-13)16(2)11-14(17)9-3-4-10-14/h5-8,15,17H,3-4,9-11H2,1-2H3
InChIKeyOHUBVOXYEAEUQS-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650
5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
1-[4-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]propan-1-one
CID 114065864
1-hydroxy-1-[[methyl(methylsulfamoyl)amino]methyl]cyclopentane
CID 114951771
5-[(1-hydroxycyclopentyl)methyl-methylamino]-2-nitrobenzoic acid
CID 114949869
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
CID 115868665
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 114947166
4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide
CID 66183974
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylbenzonitrile
CID 114949288
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
CID 115360724

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide (CID 114952048) is 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N(C)CC2(O)CCCC2)cc1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide?
The InChIKey is OHUBVOXYEAEUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15-20(18,19)13-7-5-12(6-8-13)16(2)11-14(17)9-3-4-10-14/h5-8,15,17H,3-4,9-11H2,1-2H3.
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide?
4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 114952048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).