N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C15H22N2O2S — CID 107422453

IUPACN-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H22N2O2S/c1-15(2)6-5-13(8-15)17-20(18,19)14-4-3-11-9-16-10-12(11)7-14/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3
InChIKeyFCXUIUBZBIUGBG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.15
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422453) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422453
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H22N2O2S/c1-15(2)6-5-13(8-15)17-20(18,19)14-4-3-11-9-16-10-12(11)7-14/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3
InChIKeyFCXUIUBZBIUGBG-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohex-3-en-1-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422243
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
N-(thian-3-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422407
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 114547417
N-(3,3-dimethylcyclopentyl)-6-(methylamino)pyridine-3-sulfonamide
CID 114551015
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 115330142
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422097
N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421711
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
4-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-3-methylbenzenesulfonamide
CID 106919518

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422453) is N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CC1(C)CCC(NS(=O)(=O)c2ccc3c(c2)CNC3)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is FCXUIUBZBIUGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2)6-5-13(8-15)17-20(18,19)14-4-3-11-9-16-10-12(11)7-14/h3-4,7,13,16-17H,5-6,8-10H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).