3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide

C11H14ClNOS — CID 846885

IUPAC3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNOS/c1-13(2)11(14)7-8-15-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3
InChIKeyUPLNGNUKRMZSFL-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.91
Rot. Bonds4

About 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide

3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 846885) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide
PubChem CID846885
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNOS/c1-13(2)11(14)7-8-15-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3
InChIKeyUPLNGNUKRMZSFL-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide (CID 846885) is 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide is CN(C)C(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is UPLNGNUKRMZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-13(2)11(14)7-8-15-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide?
3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 243.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 846885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).