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

C15H22N2O2S — CID 107422505

IUPACN-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1CCCC1CNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O2S/c1-11-3-2-4-12(11)10-17-20(18,19)15-6-5-13-8-16-9-14(13)7-15/h5-7,11-12,16-17H,2-4,8-10H2,1H3
InChIKeyVIIZIDKNMBGCCL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.00
Rot. Bonds4

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

N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422505) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422505
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1CCCC1CNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O2S/c1-11-3-2-4-12(11)10-17-20(18,19)15-6-5-13-8-16-9-14(13)7-15/h5-7,11-12,16-17H,2-4,8-10H2,1H3
InChIKeyVIIZIDKNMBGCCL-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

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Related Compounds

N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114955865
4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107418696
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 107418395
3-fluoro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzenesulfonamide
CID 107417852
N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-sulfonamide
CID 107420200
6-cyano-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107418699
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422505) is N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is CC1CCCC1CNS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is VIIZIDKNMBGCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-3-2-4-12(11)10-17-20(18,19)15-6-5-13-8-16-9-14(13)7-15/h5-7,11-12,16-17H,2-4,8-10H2,1H3.
What are the key properties of N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-[(2-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-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).