(6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone

C14H18N2OS — CID 80594399

IUPAC(6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone
SMILESNc1ccc2c(c1)N(C(=O)C1CCCCS1)CC2
InChIInChI=1S/C14H18N2OS/c15-11-5-4-10-6-7-16(12(10)9-11)14(17)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2
InChIKeyBIYRBPNJWLDGCV-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.44
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone

(6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone (PubChem CID 80594399) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone
PubChem CID80594399
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone
SMILESNc1ccc2c(c1)N(C(=O)C1CCCCS1)CC2
InChIInChI=1S/C14H18N2OS/c15-11-5-4-10-6-7-16(12(10)9-11)14(17)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2
InChIKeyBIYRBPNJWLDGCV-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (6-amino-2,3-dihydroindol-1-yl)-(thian-2-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

(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 141303250
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
(6-amino-2,3-dihydroindol-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65152623
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107174724
(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107959291
(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
CID 62213133
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 81456783
(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
CID 119324720
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107174857
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone (CID 80594399) is (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone is Nc1ccc2c(c1)N(C(=O)C1CCCCS1)CC2.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone?
The InChIKey is BIYRBPNJWLDGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-11-5-4-10-6-7-16(12(10)9-11)14(17)13-3-1-2-8-18-13/h4-5,9,13H,1-3,6-8,15H2.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone?
(6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone has a molecular weight of 262.38 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone is sourced from PubChem (CID 80594399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).