N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide

C12H17NOS — CID 107027681

IUPACN-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide
SMILESCc1cc(C)cc(N(C)C(=O)C(C)S)c1
InChIInChI=1S/C12H17NOS/c1-8-5-9(2)7-11(6-8)13(4)12(14)10(3)15/h5-7,10,15H,1-4H3
InChIKeyLNMWFWVSLMCSSN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.58
Rot. Bonds2

About N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide

N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide (PubChem CID 107027681) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide
PubChem CID107027681
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide
SMILESCc1cc(C)cc(N(C)C(=O)C(C)S)c1
InChIInChI=1S/C12H17NOS/c1-8-5-9(2)7-11(6-8)13(4)12(14)10(3)15/h5-7,10,15H,1-4H3
InChIKeyLNMWFWVSLMCSSN-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide 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-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide
CID 107905090
2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide
CID 103628440
N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027780
2-oxo-2-(N,3,5-trimethylanilino)acetic acid
CID 62001578
2-amino-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 28794396
2-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 62002126
N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide
CID 62003274
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 62002271
1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62003071
4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120589892
N-(3,5-dimethylphenyl)-N-methylethanimidamide
CID 63173252
3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
CID 62003994

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide (CID 107027681) is N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide is Cc1cc(C)cc(N(C)C(=O)C(C)S)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide?
The InChIKey is LNMWFWVSLMCSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-5-9(2)7-11(6-8)13(4)12(14)10(3)15/h5-7,10,15H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide?
N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide is sourced from PubChem (CID 107027681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).