(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide

C15H22N2OS — CID 104984848

IUPAC(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NC1CCCSC1
InChIInChI=1S/C15H22N2OS/c16-14(9-8-12-5-2-1-3-6-12)15(18)17-13-7-4-10-19-11-13/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18)/t13?,14-/m0/s1
InChIKeyPZDQVHFECQFUAA-KZUDCZAMSA-N
MW278.42 g/mol
LogP1.96
Rot. Bonds5

About (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide

(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide (PubChem CID 104984848) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide
PubChem CID104984848
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NC1CCCSC1
InChIInChI=1S/C15H22N2OS/c16-14(9-8-12-5-2-1-3-6-12)15(18)17-13-7-4-10-19-11-13/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18)/t13?,14-/m0/s1
InChIKeyPZDQVHFECQFUAA-KZUDCZAMSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(1,1-dioxothian-3-yl)-4-phenylbutanamide
CID 104984424
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
CID 104983814
(2S)-2-amino-N-(thian-3-yl)butanamide
CID 103797750
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
CID 104984765
(2S)-2-amino-4-phenyl-N-(thian-2-ylmethyl)butanamide
CID 104984623
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 114928005
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
CID 104983988
2-amino-2-phenyl-N-(thiolan-3-yl)acetamide
CID 103797147
benzyl 3-amino-4-(cyclododecylamino)-4-oxobutanoate
CID 14373253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide (CID 104984848) is (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide is N[C@@H](CCc1ccccc1)C(=O)NC1CCCSC1.
What is the InChIKey of (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide?
The InChIKey is PZDQVHFECQFUAA-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-14(9-8-12-5-2-1-3-6-12)15(18)17-13-7-4-10-19-11-13/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide?
(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide has a molecular weight of 278.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide is sourced from PubChem (CID 104984848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).