1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone

C15H20N2O3S — CID 63911652

IUPAC1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NC3CCCS(=O)(=O)C3)ccc21
InChIInChI=1S/C15H20N2O3S/c1-11(18)17-7-6-12-9-13(4-5-15(12)17)16-14-3-2-8-21(19,20)10-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3
InChIKeyORJNBVQCQCZWFX-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.58
Rot. Bonds2

About 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 63911652) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID63911652
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NC3CCCS(=O)(=O)C3)ccc21
InChIInChI=1S/C15H20N2O3S/c1-11(18)17-7-6-12-9-13(4-5-15(12)17)16-14-3-2-8-21(19,20)10-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3
InChIKeyORJNBVQCQCZWFX-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone 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

1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone
CID 4547632
4-[(1,1-dioxothian-3-yl)amino]-2-methylbenzoic acid
CID 81282203
1-[5-[(2-methyloxolan-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 82727443
1-acetyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 94006613
1-acetyl-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 94006614
5-[(1,1-dioxothian-3-yl)amino]-2-fluorobenzoic acid
CID 63922414
N-(1,1-dioxothian-3-yl)quinoxalin-6-amine
CID 63923027
4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
CID 64794825
4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
CID 63923173
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
CID 119271757
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone (CID 63911652) is 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NC3CCCS(=O)(=O)C3)ccc21.
What is the InChIKey of 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ORJNBVQCQCZWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(18)17-7-6-12-9-13(4-5-15(12)17)16-14-3-2-8-21(19,20)10-14/h4-5,9,14,16H,2-3,6-8,10H2,1H3.
What are the key properties of 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 308.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 63911652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).