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

C15H22N2O2S — CID 107422155

IUPACN-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O2S/c1-17(11-12-4-2-3-5-12)20(18,19)15-7-6-13-9-16-10-14(13)8-15/h6-8,12,16H,2-5,9-11H2,1H3
InChIKeyKFRLFYXDNQJEQL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.10
Rot. Bonds4

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

N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107422155) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107422155
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H22N2O2S/c1-17(11-12-4-2-3-5-12)20(18,19)15-7-6-13-9-16-10-14(13)8-15/h6-8,12,16H,2-5,9-11H2,1H3
InChIKeyKFRLFYXDNQJEQL-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79701884
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106630837
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422029
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62856404
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 54884366
N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421962
3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 106611161
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
3-chloro-N-(cyclopentylmethyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090781

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107422155) is N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide is CN(CC1CCCC1)S(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is KFRLFYXDNQJEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17(11-12-4-2-3-5-12)20(18,19)15-7-6-13-9-16-10-14(13)8-15/h6-8,12,16H,2-5,9-11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107422155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).