N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride

C12H27ClN2OS — CID 119643600

IUPACN-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CSC(C)(C)C.Cl
InChIInChI=1S/C12H26N2OS.ClH/c1-6-12(13,7-2)9-14-10(15)8-16-11(3,4)5;/h6-9,13H2,1-5H3,(H,14,15);1H
InChIKeyPHIAEACQLIGVKH-UHFFFAOYSA-N
MW282.88 g/mol
LogP2.57
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride (PubChem CID 119643600) has the molecular formula C12H27ClN2OS and a molecular weight of 282.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride
PubChem CID119643600
Molecular FormulaC12H27ClN2OS
Molecular Weight282.88 g/mol
Exact Mass282.15
IUPAC NameN-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CSC(C)(C)C.Cl
InChIInChI=1S/C12H26N2OS.ClH/c1-6-12(13,7-2)9-14-10(15)8-16-11(3,4)5;/h6-9,13H2,1-5H3,(H,14,15);1H
InChIKeyPHIAEACQLIGVKH-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.88
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride (CID 119643600) is N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride is CCC(N)(CC)CNC(=O)CSC(C)(C)C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride?
The InChIKey is PHIAEACQLIGVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS.ClH/c1-6-12(13,7-2)9-14-10(15)8-16-11(3,4)5;/h6-9,13H2,1-5H3,(H,14,15);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride has a molecular weight of 282.88 g/mol, XLogP of 2.57, 6 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-tert-butylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 119643600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).