1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide

C15H19N3O3S — CID 118100925

IUPAC1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)NS(=O)(=O)N1CCCC1)n2C
InChIInChI=1S/C15H19N3O3S/c1-11-5-6-13-12(9-11)10-14(17(13)2)15(19)16-22(20,21)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyFCOYEELVPLQJCK-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.56
Rot. Bonds3

About 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide

1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide (PubChem CID 118100925) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
PubChem CID118100925
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)NS(=O)(=O)N1CCCC1)n2C
InChIInChI=1S/C15H19N3O3S/c1-11-5-6-13-12(9-11)10-14(17(13)2)15(19)16-22(20,21)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyFCOYEELVPLQJCK-UHFFFAOYSA-N
XLogP1.56
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
CID 47363389
(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
CID 22579716
4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 99837354
2-(azepan-1-ylmethyl)-1,5-dimethylindole
CID 117185359
5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 83968374
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide (CID 118100925) is 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide is Cc1ccc2c(c1)cc(C(=O)NS(=O)(=O)N1CCCC1)n2C.
What is the InChIKey of 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide?
The InChIKey is FCOYEELVPLQJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-5-6-13-12(9-11)10-14(17(13)2)15(19)16-22(20,21)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,19).
What are the key properties of 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide?
1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide is sourced from PubChem (CID 118100925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).