3-phenylsulfanylpropanamide

C9H11NOS — CID 11629695

IUPAC3-phenylsulfanylpropanamide
SMILESNC(=O)CCSc1ccccc1
InChIInChI=1S/C9H11NOS/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyGLULYPZZPZSRAP-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.65
Rot. Bonds4

About 3-phenylsulfanylpropanamide

3-phenylsulfanylpropanamide (PubChem CID 11629695) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name3-phenylsulfanylpropanamide
PubChem CID11629695
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name3-phenylsulfanylpropanamide
SMILESNC(=O)CCSc1ccccc1
InChIInChI=1S/C9H11NOS/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKeyGLULYPZZPZSRAP-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylpropanamide?
The IUPAC name of 3-phenylsulfanylpropanamide (CID 11629695) is 3-phenylsulfanylpropanamide.
What is the SMILES notation for 3-phenylsulfanylpropanamide?
The canonical SMILES for 3-phenylsulfanylpropanamide is NC(=O)CCSc1ccccc1.
What is the InChIKey of 3-phenylsulfanylpropanamide?
The InChIKey is GLULYPZZPZSRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11).
What are the key properties of 3-phenylsulfanylpropanamide?
3-phenylsulfanylpropanamide has a molecular weight of 181.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylpropanamide is sourced from PubChem (CID 11629695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).