3-phenyl-2-propylsulfanylpropanamide

C12H17NOS — CID 22751595

IUPAC3-phenyl-2-propylsulfanylpropanamide
SMILESCCCSC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C12H17NOS/c1-2-8-15-11(12(13)14)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,13,14)
InChIKeyATEMQACCLBNSLJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.23
Rot. Bonds6

About 3-phenyl-2-propylsulfanylpropanamide

3-phenyl-2-propylsulfanylpropanamide (PubChem CID 22751595) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-phenyl-2-propylsulfanylpropanamide.

Molecular Properties

Compound Name3-phenyl-2-propylsulfanylpropanamide
PubChem CID22751595
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-phenyl-2-propylsulfanylpropanamide
SMILESCCCSC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C12H17NOS/c1-2-8-15-11(12(13)14)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,13,14)
InChIKeyATEMQACCLBNSLJ-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propylsulfanylpropanamide?
The IUPAC name of 3-phenyl-2-propylsulfanylpropanamide (CID 22751595) is 3-phenyl-2-propylsulfanylpropanamide.
What is the SMILES notation for 3-phenyl-2-propylsulfanylpropanamide?
The canonical SMILES for 3-phenyl-2-propylsulfanylpropanamide is CCCSC(Cc1ccccc1)C(N)=O.
What is the InChIKey of 3-phenyl-2-propylsulfanylpropanamide?
The InChIKey is ATEMQACCLBNSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-8-15-11(12(13)14)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,13,14).
What are the key properties of 3-phenyl-2-propylsulfanylpropanamide?
3-phenyl-2-propylsulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propylsulfanylpropanamide is sourced from PubChem (CID 22751595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).