2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride

C15H25ClN2OS — CID 119315516

IUPAC2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(SC(C)(C)C)cc1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-5-6-13(16)14(18)17-11-7-9-12(10-8-11)19-15(2,3)4;/h7-10,13H,5-6,16H2,1-4H3,(H,17,18);1H
InChIKeyOLWUOUYOPJWDHL-UHFFFAOYSA-N
MW316.90 g/mol
LogP4.06
Rot. Bonds5

About 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride

2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride (PubChem CID 119315516) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride
PubChem CID119315516
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(SC(C)(C)C)cc1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-5-6-13(16)14(18)17-11-7-9-12(10-8-11)19-15(2,3)4;/h7-10,13H,5-6,16H2,1-4H3,(H,17,18);1H
InChIKeyOLWUOUYOPJWDHL-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2S)-2-amino-N-(4-tert-butylsulfanylphenyl)propanamide
CID 119315495
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
CID 119313181
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
2-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride
CID 119293416
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride (CID 119315516) is 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(SC(C)(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride?
The InChIKey is OLWUOUYOPJWDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-5-6-13(16)14(18)17-11-7-9-12(10-8-11)19-15(2,3)4;/h7-10,13H,5-6,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride?
2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119315516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).