N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride

C16H27ClN2OS — CID 119640354

IUPACN-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)SCc1ccccc1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-4-16(17,5-2)12-18-15(19)13(3)20-11-14-9-7-6-8-10-14;/h6-10,13H,4-5,11-12,17H2,1-3H3,(H,18,19);1H
InChIKeyAYGLSDFIQBLIAF-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.36
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride (PubChem CID 119640354) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
PubChem CID119640354
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC NameN-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)SCc1ccccc1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-4-16(17,5-2)12-18-15(19)13(3)20-11-14-9-7-6-8-10-14;/h6-10,13H,4-5,11-12,17H2,1-3H3,(H,18,19);1H
InChIKeyAYGLSDFIQBLIAF-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886
2-benzylsulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452281
propan-2-yl 2-(2-benzylsulfanylpropanoylamino)acetate
CID 71879043
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358
2-benzyl-3-(2-benzylsulfanylpropanoylamino)propanoic acid
CID 119233768
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide
CID 95618501
2-benzylsulfanyl-N-(methylcarbamoyl)propanamide
CID 16527785
3-(2-benzylsulfanylpropanoylamino)butanoic acid
CID 119221152
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride (CID 119640354) is N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride is CCC(N)(CC)CNC(=O)C(C)SCc1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride?
The InChIKey is AYGLSDFIQBLIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS.ClH/c1-4-16(17,5-2)12-18-15(19)13(3)20-11-14-9-7-6-8-10-14;/h6-10,13H,4-5,11-12,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride has a molecular weight of 330.93 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119640354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).