4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide

C14H22N2O3S — CID 114947166

IUPAC4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2(O)CCCC2)ccc1N
InChIInChI=1S/C14H22N2O3S/c1-11-9-12(5-6-13(11)15)20(18,19)16(2)10-14(17)7-3-4-8-14/h5-6,9,17H,3-4,7-8,10,15H2,1-2H3
InChIKeyKLSIZMDFNKOYKS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.50
Rot. Bonds4

About 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide

4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide (PubChem CID 114947166) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide
PubChem CID114947166
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2(O)CCCC2)ccc1N
InChIInChI=1S/C14H22N2O3S/c1-11-9-12(5-6-13(11)15)20(18,19)16(2)10-14(17)7-3-4-8-14/h5-6,9,17H,3-4,7-8,10,15H2,1-2H3
InChIKeyKLSIZMDFNKOYKS-UHFFFAOYSA-N
XLogP1.50
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(1-hydroxycyclobutyl)methyl]-N-methylbenzenesulfonamide
CID 122141769
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947133
3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]benzenecarbothioamide
CID 114949421
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114951868
4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947090
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115867593
4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide
CID 112754384
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114386523
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114760033
N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 114951772
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,6-dimethylbenzenesulfonamide
CID 114947189

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide (CID 114947166) is 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CC2(O)CCCC2)ccc1N.
What is the InChIKey of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide?
The InChIKey is KLSIZMDFNKOYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-12(5-6-13(11)15)20(18,19)16(2)10-14(17)7-3-4-8-14/h5-6,9,17H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide?
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 114947166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).