N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide

C15H21NO2S — CID 138683501

IUPACN-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide
SMILESCC1=C(NS(C)(=O)=O)c2cc(CC(C)C)ccc2C1
InChIInChI=1S/C15H21NO2S/c1-10(2)7-12-5-6-13-8-11(3)15(14(13)9-12)16-19(4,17)18/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyALKQXXHQAHUCMW-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.72
Rot. Bonds4

About N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide

N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide (PubChem CID 138683501) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide
PubChem CID138683501
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide
SMILESCC1=C(NS(C)(=O)=O)c2cc(CC(C)C)ccc2C1
InChIInChI=1S/C15H21NO2S/c1-10(2)7-12-5-6-13-8-11(3)15(14(13)9-12)16-19(4,17)18/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyALKQXXHQAHUCMW-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide (CID 138683501) is N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide is CC1=C(NS(C)(=O)=O)c2cc(CC(C)C)ccc2C1.
What is the InChIKey of N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide?
The InChIKey is ALKQXXHQAHUCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10(2)7-12-5-6-13-8-11(3)15(14(13)9-12)16-19(4,17)18/h5-6,9-10,16H,7-8H2,1-4H3.
What are the key properties of N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide?
N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide has a molecular weight of 279.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(2-methylpropyl)-3H-inden-1-yl]methanesulfonamide is sourced from PubChem (CID 138683501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).