3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide

C17H24N2OS — CID 62879130

IUPAC3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCC1CCCCC1N(C)C(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,6-8,11H2,1-2H3,(H2,18,21)
InChIKeyVCEFECPODVJHBT-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.09
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide

3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 62879130) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID62879130
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCC1CCCCC1N(C)C(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,6-8,11H2,1-2H3,(H2,18,21)
InChIKeyVCEFECPODVJHBT-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-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

Butyramide, 4-diisopropylamino-2,2-diphenyl-
CID 38310
N-[2-(Dimethylamino)ethyl]-2,2-diphenylacetamide
CID 422051
N,N-diethyl-2,2-diphenylacetamide
CID 229107
N-cyclohexyl-2,2-diphenylacetamide
CID 349568
alpha-Phenyl-2-piperidineacetamide
CID 86862
(alphaR,2R)-alpha-Phenyl-2-piperidineacetamide
CID 11085277
N-[2-[tert-butyl(methyl)amino]ethyl]-N-methyl-2,2-diphenylacetamide
CID 1900319
2-phenyl-N-(2-phenylethyl)butanamide
CID 2905215
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
N-(1-benzylpropyl)cyclohexanecarboxamide
CID 2971987
2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 6466086
MR 16728
CID 378811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide (CID 62879130) is 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide is CC1CCCCC1N(C)C(=O)C(C(N)=S)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is VCEFECPODVJHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,6-8,11H2,1-2H3,(H2,18,21).
What are the key properties of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 304.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62879130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).