N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide

C12H17NOS — CID 893856

IUPACN,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)N(C)C)cc1
InChIInChI=1S/C12H17NOS/c1-10-4-6-11(7-5-10)15-9-8-12(14)13(2)3/h4-7H,8-9H2,1-3H3
InChIKeyLQYXSXYNJWKSML-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.57
Rot. Bonds4

About N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide

N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 893856) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID893856
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)N(C)C)cc1
InChIInChI=1S/C12H17NOS/c1-10-4-6-11(7-5-10)15-9-8-12(14)13(2)3/h4-7H,8-9H2,1-3H3
InChIKeyLQYXSXYNJWKSML-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide (CID 893856) is N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is LQYXSXYNJWKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10-4-6-11(7-5-10)15-9-8-12(14)13(2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide?
N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 893856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).