2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide

C14H22N2OS — CID 54881057

IUPAC2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCCSc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(2)10-13(15)14(17)16-8-9-18-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeySXWWYVJYTBQWPW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.27
Rot. Bonds7

About 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide

2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide (PubChem CID 54881057) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
PubChem CID54881057
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCCSc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(2)10-13(15)14(17)16-8-9-18-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeySXWWYVJYTBQWPW-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
CID 119272252
2-amino-N-(2-phenylsulfanylethyl)hexanamide
CID 54881069
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
CID 9482953
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
CID 119703944
2-methyl-2-(2-phenylsulfanylethylcarbamoylamino)butanoic acid
CID 79211602
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide (CID 54881057) is 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide is CC(C)CC(N)C(=O)NCCSc1ccccc1.
What is the InChIKey of 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide?
The InChIKey is SXWWYVJYTBQWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)10-13(15)14(17)16-8-9-18-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide?
2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide has a molecular weight of 266.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide is sourced from PubChem (CID 54881057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).