N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide

C14H18N2OS — CID 2239474

IUPACN-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=S)N1CCc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-14(2,3)12(17)15-13(18)16-9-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,15,17,18)
InChIKeyNDVCIWWHZUCNFZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.50
Rot. Bonds

About N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide

N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide (PubChem CID 2239474) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide
PubChem CID2239474
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=S)N1CCc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-14(2,3)12(17)15-13(18)16-9-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,15,17,18)
InChIKeyNDVCIWWHZUCNFZ-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide 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

4H-Imidazo(4,5-c)quinolin-4-one, 1,2,3,5-tetrahydro-5-butyl-1-methyl-2-thioxo-
CID 3077038
N-(2,3-dihydro-1H-indol-1-ylcarbonothioyl)cyclobutanecarboxamide
CID 974475
N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 2086380
4,4,6-trimethyl-1-[3-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]tetrahydropyrimidine-2(1H)-thione
CID 4082788
N-(4-butylphenyl)pyrrolidine-1-carbothioamide
CID 19653621
(Cyclopentylamino)(2-methylindolinyl)methane-1-thione
CID 19686716
1-(2,6-Dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2373826
2,2-dimethyl-N-[2,2,2-trichloro-1-({[(2-methylphenyl)amino]carbonothioyl}amino)ethyl]propanamide
CID 2830614
N-(2,3-dihydro-1H-indol-1-ylcarbonothioyl)benzamide
CID 833366
N,N-diethyl-1-indolinecarboxamide
CID 2987329
2,3-dihydro-1H-indole-1-carboxamide
CID 771524
(10aR)-8,10,10,10a-tetramethyl-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
CID 659196

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide (CID 2239474) is N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(=S)N1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide?
The InChIKey is NDVCIWWHZUCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,3)12(17)15-13(18)16-9-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,15,17,18).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide?
N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide has a molecular weight of 262.38 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindole-1-carbothioyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2239474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).