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

C12H26N2OS — CID 81484822

IUPACN-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide
SMILESCCC(N)(CC)CNC(=O)CSC(C)(C)C
InChIInChI=1S/C12H26N2OS/c1-6-12(13,7-2)9-14-10(15)8-16-11(3,4)5/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyNPKDXRHRGZMYGF-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.15
Rot. Bonds6

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

N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide (PubChem CID 81484822) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide
PubChem CID81484822
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide
SMILESCCC(N)(CC)CNC(=O)CSC(C)(C)C
InChIInChI=1S/C12H26N2OS/c1-6-12(13,7-2)9-14-10(15)8-16-11(3,4)5/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyNPKDXRHRGZMYGF-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
N-(3-aminopropyl)-2-tert-butylsulfanylacetamide
CID 62268274
1-(2-amino-2-ethylbutyl)-3-tert-butylurea
CID 115305870
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N-(2-amino-2-ethylbutyl)-2-propylsulfonylacetamide
CID 119640214
N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119640041
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
1-(2-amino-2-ethylbutyl)-3-ethylurea
CID 115305864
2-tert-butylsulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712613
N-(2-amino-2-ethylbutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81484556

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide (CID 81484822) is N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide is CCC(N)(CC)CNC(=O)CSC(C)(C)C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide?
The InChIKey is NPKDXRHRGZMYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-6-12(13,7-2)9-14-10(15)8-16-11(3,4)5/h6-9,13H2,1-5H3,(H,14,15).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide?
N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide has a molecular weight of 246.42 g/mol, XLogP of 2.15, 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 is sourced from PubChem (CID 81484822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).