2-amino-4-phenylsulfanylbutanamide

C10H14N2OS — CID 63033398

IUPAC2-amino-4-phenylsulfanylbutanamide
SMILESNC(=O)C(N)CCSc1ccccc1
InChIInChI=1S/C10H14N2OS/c11-9(10(12)13)6-7-14-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)
InChIKeyXMDPPOJUTDAFOD-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-4-phenylsulfanylbutanamide

2-amino-4-phenylsulfanylbutanamide (PubChem CID 63033398) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-amino-4-phenylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-4-phenylsulfanylbutanamide
PubChem CID63033398
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-amino-4-phenylsulfanylbutanamide
SMILESNC(=O)C(N)CCSc1ccccc1
InChIInChI=1S/C10H14N2OS/c11-9(10(12)13)6-7-14-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)
InChIKeyXMDPPOJUTDAFOD-UHFFFAOYSA-N
XLogP0.98
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide
CID 63033564
2-amino-6-phenylsulfanylhexanoic acid
CID 3724865
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
2-amino-4-(2-nitrophenyl)sulfanylbutanamide
CID 55143582
2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide
CID 63033798
1-phenyl-3-phenylsulfanylpropan-1-amine
CID 132891646
2-(2-aminoethyl)-4-phenylsulfanylbutanoic acid
CID 104680987
(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895
2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
CID 119272252
(2S)-2-phenyl-3-phenylsulfanylpropanamide
CID 59979029

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylsulfanylbutanamide?
The IUPAC name of 2-amino-4-phenylsulfanylbutanamide (CID 63033398) is 2-amino-4-phenylsulfanylbutanamide.
What is the SMILES notation for 2-amino-4-phenylsulfanylbutanamide?
The canonical SMILES for 2-amino-4-phenylsulfanylbutanamide is NC(=O)C(N)CCSc1ccccc1.
What is the InChIKey of 2-amino-4-phenylsulfanylbutanamide?
The InChIKey is XMDPPOJUTDAFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c11-9(10(12)13)6-7-14-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13).
What are the key properties of 2-amino-4-phenylsulfanylbutanamide?
2-amino-4-phenylsulfanylbutanamide has a molecular weight of 210.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylsulfanylbutanamide is sourced from PubChem (CID 63033398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).