(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone

C15H17NO3S — CID 104518020

IUPAC(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C15H17NO3S/c1-10-14(11-6-2-3-7-12(11)16-10)15(17)13-8-4-5-9-20(13,18)19/h2-3,6-7,13,16H,4-5,8-9H2,1H3
InChIKeyWKTJPGKSGCTFQY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.63
Rot. Bonds2

About (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone

(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 104518020) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID104518020
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C15H17NO3S/c1-10-14(11-6-2-3-7-12(11)16-10)15(17)13-8-4-5-9-20(13,18)19/h2-3,6-7,13,16H,4-5,8-9H2,1H3
InChIKeyWKTJPGKSGCTFQY-UHFFFAOYSA-N
XLogP2.63
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-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

Related Compounds

cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
2,3-dihydro-1H-inden-2-yl-(2-methyl-1H-indol-3-yl)methanone
CID 106892541
(2-methyl-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272785
(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82305589
(1,1-dioxothian-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 104518069
(1,1-dioxothian-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106876995
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
CID 170645728
CID 170645728
(1,1-dioxothian-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 104518071
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone (CID 104518020) is (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is WKTJPGKSGCTFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-14(11-6-2-3-7-12(11)16-10)15(17)13-8-4-5-9-20(13,18)19/h2-3,6-7,13,16H,4-5,8-9H2,1H3.
What are the key properties of (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone?
(1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 291.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-2-yl)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 104518020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).