N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

C15H22N2O2S — CID 107422504

IUPACN-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H22N2O2S/c1-11-2-3-12(6-11)8-17-20(18,19)15-5-4-13-9-16-10-14(13)7-15/h4-5,7,11-12,16-17H,2-3,6,8-10H2,1H3
InChIKeyQOYFXBHUGXECIQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.00
Rot. Bonds4

About N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide

N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422504) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422504
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H22N2O2S/c1-11-2-3-12(6-11)8-17-20(18,19)15-5-4-13-9-16-10-14(13)7-15/h4-5,7,11-12,16-17H,2-3,6,8-10H2,1H3
InChIKeyQOYFXBHUGXECIQ-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylcyclopentyl)methyl]-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-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422505
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
6-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411147
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089862
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422504) is N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is CC1CCC(CNS(=O)(=O)c2ccc3c(c2)CNC3)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is QOYFXBHUGXECIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-2-3-12(6-11)8-17-20(18,19)15-5-4-13-9-16-10-14(13)7-15/h4-5,7,11-12,16-17H,2-3,6,8-10H2,1H3.
What are the key properties of N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).