2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine

C20H24N2O2S — CID 138685100

IUPAC2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(CCC(C)(C)N)ccc32)cc1
InChIInChI=1S/C20H24N2O2S/c1-15-4-7-18(8-5-15)25(23,24)22-13-11-17-14-16(6-9-19(17)22)10-12-20(2,3)21/h4-9,11,13-14H,10,12,21H2,1-3H3
InChIKeyGWSKDUPDNQWXRE-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.86
Rot. Bonds5

About 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine

2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine (PubChem CID 138685100) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
PubChem CID138685100
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(CCC(C)(C)N)ccc32)cc1
InChIInChI=1S/C20H24N2O2S/c1-15-4-7-18(8-5-15)25(23,24)22-13-11-17-14-16(6-9-19(17)22)10-12-20(2,3)21/h4-9,11,13-14H,10,12,21H2,1-3H3
InChIKeyGWSKDUPDNQWXRE-UHFFFAOYSA-N
XLogP3.86
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
5-(3,3-dimethylbut-1-ynyl)-1-(4-methylphenyl)sulfonylindole
CID 175964877
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
N,5-dimethyl-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-3-carboxamide
CID 167263148
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
CID 168637603
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
1-(4-ethylphenyl)sulfonylindole-5-carbonitrile
CID 46890868
5-chloro-1-(4-methylphenyl)sulfonylindole;ethyl formate
CID 174618464
methyl 3-(methylcarbamoyl)-1-[[1-(4-methylphenyl)sulfonylindol-5-yl]methyl]pyrazole-5-carboxylate
CID 142418228
3-[1-(4-methylphenyl)sulfonylindol-5-yl]oxybenzoic acid
CID 167504687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine (CID 138685100) is 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine is Cc1ccc(S(=O)(=O)n2ccc3cc(CCC(C)(C)N)ccc32)cc1.
What is the InChIKey of 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine?
The InChIKey is GWSKDUPDNQWXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-4-7-18(8-5-15)25(23,24)22-13-11-17-14-16(6-9-19(17)22)10-12-20(2,3)21/h4-9,11,13-14H,10,12,21H2,1-3H3.
What are the key properties of 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine?
2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine has a molecular weight of 356.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(4-methylphenyl)sulfonylindol-5-yl]butan-2-amine is sourced from PubChem (CID 138685100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).