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

C16H24N2O2S — CID 107421962

IUPACN-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C16H24N2O2S/c1-12-4-3-5-15(8-12)18(2)21(19,20)16-7-6-13-10-17-11-14(13)9-16/h6-7,9,12,15,17H,3-5,8,10-11H2,1-2H3
InChIKeyMATXHWLLERUJJL-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.49
Rot. Bonds3

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

N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421962) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107421962
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C16H24N2O2S/c1-12-4-3-5-15(8-12)18(2)21(19,20)16-7-6-13-10-17-11-14(13)9-16/h6-7,9,12,15,17H,3-5,8,10-11H2,1-2H3
InChIKeyMATXHWLLERUJJL-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422029
4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 103697325
4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61446796
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 63289031
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2,3-dihydro-1H-isoindole
CID 107422312
N-cyclopentyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43267403

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421962) is N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CC1CCCC(N(C)S(=O)(=O)c2ccc3c(c2)CNC3)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is MATXHWLLERUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-4-3-5-15(8-12)18(2)21(19,20)16-7-6-13-10-17-11-14(13)9-16/h6-7,9,12,15,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).