N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide

C13H17NOS — CID 900672

IUPACN-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NOS/c1-10-2-6-12(7-3-10)16-9-8-13(15)14-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyYRDAIBPPBOQVMB-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.76
Rot. Bonds5

About N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide

N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 900672) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID900672
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NOS/c1-10-2-6-12(7-3-10)16-9-8-13(15)14-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,15)
InChIKeyYRDAIBPPBOQVMB-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide (CID 900672) is N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is YRDAIBPPBOQVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10-2-6-12(7-3-10)16-9-8-13(15)14-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide?
N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 235.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 900672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).