4-amino-N-(2-phenylsulfanylpropyl)butanamide

C13H20N2OS — CID 119335487

IUPAC4-amino-N-(2-phenylsulfanylpropyl)butanamide
SMILESCC(CNC(=O)CCCN)Sc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-11(10-15-13(16)8-5-9-14)17-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyKAXVGTOEQBLYSU-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.02
Rot. Bonds7

About 4-amino-N-(2-phenylsulfanylpropyl)butanamide

4-amino-N-(2-phenylsulfanylpropyl)butanamide (PubChem CID 119335487) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-amino-N-(2-phenylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-phenylsulfanylpropyl)butanamide
PubChem CID119335487
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-amino-N-(2-phenylsulfanylpropyl)butanamide
SMILESCC(CNC(=O)CCCN)Sc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-11(10-15-13(16)8-5-9-14)17-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyKAXVGTOEQBLYSU-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenylsulfanylpropyl)butanamide?
The IUPAC name of 4-amino-N-(2-phenylsulfanylpropyl)butanamide (CID 119335487) is 4-amino-N-(2-phenylsulfanylpropyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-phenylsulfanylpropyl)butanamide?
The canonical SMILES for 4-amino-N-(2-phenylsulfanylpropyl)butanamide is CC(CNC(=O)CCCN)Sc1ccccc1.
What is the InChIKey of 4-amino-N-(2-phenylsulfanylpropyl)butanamide?
The InChIKey is KAXVGTOEQBLYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(10-15-13(16)8-5-9-14)17-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(2-phenylsulfanylpropyl)butanamide?
4-amino-N-(2-phenylsulfanylpropyl)butanamide has a molecular weight of 252.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenylsulfanylpropyl)butanamide is sourced from PubChem (CID 119335487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).