2-amino-N-(2-phenylsulfanylethyl)hexanamide

C14H22N2OS — CID 54881069

IUPAC2-amino-N-(2-phenylsulfanylethyl)hexanamide
SMILESCCCCC(N)C(=O)NCCSc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-2-3-9-13(15)14(17)16-10-11-18-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17)
InChIKeySXYCXJNIYBLMCK-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.41
Rot. Bonds8

About 2-amino-N-(2-phenylsulfanylethyl)hexanamide

2-amino-N-(2-phenylsulfanylethyl)hexanamide (PubChem CID 54881069) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-N-(2-phenylsulfanylethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylsulfanylethyl)hexanamide
PubChem CID54881069
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-N-(2-phenylsulfanylethyl)hexanamide
SMILESCCCCC(N)C(=O)NCCSc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-2-3-9-13(15)14(17)16-10-11-18-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17)
InChIKeySXYCXJNIYBLMCK-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.41
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

2-amino-N-(2-phenylsulfanylethyl)pentanamide;hydrochloride
CID 119272252
2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
CID 54881057
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
3-[[(2S)-2-aminohexanoyl]amino]-2-phenylpropanoic acid
CID 107145420
2-[[(2R)-2,6-diaminohexanoyl]amino]ethyl 4-phenylsulfanylbutanoate
CID 169041284
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-6-phenylsulfanylhexanoic acid
CID 3724865
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylsulfanylethyl)hexanamide?
The IUPAC name of 2-amino-N-(2-phenylsulfanylethyl)hexanamide (CID 54881069) is 2-amino-N-(2-phenylsulfanylethyl)hexanamide.
What is the SMILES notation for 2-amino-N-(2-phenylsulfanylethyl)hexanamide?
The canonical SMILES for 2-amino-N-(2-phenylsulfanylethyl)hexanamide is CCCCC(N)C(=O)NCCSc1ccccc1.
What is the InChIKey of 2-amino-N-(2-phenylsulfanylethyl)hexanamide?
The InChIKey is SXYCXJNIYBLMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-3-9-13(15)14(17)16-10-11-18-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(2-phenylsulfanylethyl)hexanamide?
2-amino-N-(2-phenylsulfanylethyl)hexanamide has a molecular weight of 266.41 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenylsulfanylethyl)hexanamide is sourced from PubChem (CID 54881069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).