3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide

C15H21N3OS — CID 63180115

IUPAC3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
SMILESCC(C)(C(=O)Nc1ccc(N2CCCC2)cc1)C(N)=S
InChIInChI=1S/C15H21N3OS/c1-15(2,13(16)20)14(19)17-11-5-7-12(8-6-11)18-9-3-4-10-18/h5-8H,3-4,9-10H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyGOXJGTSWMIMDJS-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide

3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide (PubChem CID 63180115) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
PubChem CID63180115
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
SMILESCC(C)(C(=O)Nc1ccc(N2CCCC2)cc1)C(N)=S
InChIInChI=1S/C15H21N3OS/c1-15(2,13(16)20)14(19)17-11-5-7-12(8-6-11)18-9-3-4-10-18/h5-8H,3-4,9-10H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyGOXJGTSWMIMDJS-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide 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

2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
2-methyl-2-(methylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62847063
2,2-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]propanamide
CID 17099800
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 17100035
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108964695
N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
CID 108964923

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide (CID 63180115) is 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide is CC(C)(C(=O)Nc1ccc(N2CCCC2)cc1)C(N)=S.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide?
The InChIKey is GOXJGTSWMIMDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2,13(16)20)14(19)17-11-5-7-12(8-6-11)18-9-3-4-10-18/h5-8H,3-4,9-10H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide?
3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide has a molecular weight of 291.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 63180115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).