(2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C19H22N2O3S2 — CID 2999266

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O3S2/c1-14-13-16-5-2-3-6-17(16)21(14)19(22)15-8-10-20(11-9-15)26(23,24)18-7-4-12-25-18/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyZJHPVUFPHDHSKX-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.13
Rot. Bonds3

About (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 2999266) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID2999266
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O3S2/c1-14-13-16-5-2-3-6-17(16)21(14)19(22)15-8-10-20(11-9-15)26(23,24)18-7-4-12-25-18/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyZJHPVUFPHDHSKX-UHFFFAOYSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 2999266) is (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is CC1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is ZJHPVUFPHDHSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-14-13-16-5-2-3-6-17(16)21(14)19(22)15-8-10-20(11-9-15)26(23,24)18-7-4-12-25-18/h2-7,12,14-15H,8-11,13H2,1H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 390.53 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 2999266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).