(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone

C14H18N2O3S — CID 4267246

IUPAC(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C14H18N2O3S/c1-20(18,19)16-9-6-11-10-12(4-5-13(11)16)14(17)15-7-2-3-8-15/h4-5,10H,2-3,6-9H2,1H3
InChIKeyFHZRWOPUXNASPG-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.24
Rot. Bonds2

About (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone

(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 4267246) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID4267246
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C14H18N2O3S/c1-20(18,19)16-9-6-11-10-12(4-5-13(11)16)14(17)15-7-2-3-8-15/h4-5,10H,2-3,6-9H2,1H3
InChIKeyFHZRWOPUXNASPG-UHFFFAOYSA-N
XLogP1.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119378639
[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46399495
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119518081
(3,5-dimethylpiperidin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 43016800
(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 78893652
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55727033
1-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355681
N-butyl-1-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperidine-3-carboxamide
CID 49407361
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 120656165
6-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174409
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone;hydrochloride
CID 119543836
2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid
CID 119248398

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone (CID 4267246) is (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone is CS(=O)(=O)N1CCc2cc(C(=O)N3CCCC3)ccc21.
What is the InChIKey of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FHZRWOPUXNASPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-20(18,19)16-9-6-11-10-12(4-5-13(11)16)14(17)15-7-2-3-8-15/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone?
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 294.38 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4267246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).