(2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide

C14H17N3O4S — CID 110867530

IUPAC(2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@H]3C(N)=O)ccc21
InChIInChI=1S/C14H17N3O4S/c1-16-11-5-4-10(7-9(11)8-13(16)18)22(20,21)17-6-2-3-12(17)14(15)19/h4-5,7,12H,2-3,6,8H2,1H3,(H2,15,19)/t12-/m0/s1
InChIKeyHZZLPUWRCZYCBS-LBPRGKRZSA-N
MW323.37 g/mol
LogP-0.16
Rot. Bonds3

About (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide

(2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide (PubChem CID 110867530) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide
PubChem CID110867530
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name(2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@H]3C(N)=O)ccc21
InChIInChI=1S/C14H17N3O4S/c1-16-11-5-4-10(7-9(11)8-13(16)18)22(20,21)17-6-2-3-12(17)14(15)19/h4-5,7,12H,2-3,6,8H2,1H3,(H2,15,19)/t12-/m0/s1
InChIKeyHZZLPUWRCZYCBS-LBPRGKRZSA-N
XLogP-0.16
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylsulfonyl)-1-methyl-3H-indol-2-one
CID 110314608
5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
CID 62916095
5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
1-(4-cyano-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 106832975
1-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 119055284
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 110818534
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60583832
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide (CID 110867530) is (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide is CN1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@H]3C(N)=O)ccc21.
What is the InChIKey of (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is HZZLPUWRCZYCBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-16-11-5-4-10(7-9(11)8-13(16)18)22(20,21)17-6-2-3-12(17)14(15)19/h4-5,7,12H,2-3,6,8H2,1H3,(H2,15,19)/t12-/m0/s1.
What are the key properties of (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide?
(2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110867530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).