4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide

C13H28N2OS — CID 103812548

IUPAC4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide
SMILESCCC(CC)(CNC(=O)CCC(C)(C)N)SC
InChIInChI=1S/C13H28N2OS/c1-6-13(7-2,17-5)10-15-11(16)8-9-12(3,4)14/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyPGCPOUQXHDBISV-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.54
Rot. Bonds8

About 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide

4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide (PubChem CID 103812548) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide
PubChem CID103812548
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide
SMILESCCC(CC)(CNC(=O)CCC(C)(C)N)SC
InChIInChI=1S/C13H28N2OS/c1-6-13(7-2,17-5)10-15-11(16)8-9-12(3,4)14/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyPGCPOUQXHDBISV-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
2-(ethylamino)-N-(2-ethyl-2-methylsulfanylbutyl)acetamide
CID 103812546
1-amino-N-(2-ethyl-2-methylsulfanylbutyl)cyclopropane-1-carboxamide;hydrochloride
CID 119809809
4-amino-N-(2-ethylsulfonylethyl)-4-methylpentanamide
CID 103810364
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
CID 103708307
4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide
CID 112701724
4-amino-N-(2-hydroxyethyl)-4-methylpentanamide;oxalic acid
CID 88516953
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653
4-amino-4-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 115157586
N-(2-ethyl-2-methylsulfanylbutyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611730
4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740492
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-3-methylbutanamide
CID 103797840

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide (CID 103812548) is 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide is CCC(CC)(CNC(=O)CCC(C)(C)N)SC.
What is the InChIKey of 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide?
The InChIKey is PGCPOUQXHDBISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-6-13(7-2,17-5)10-15-11(16)8-9-12(3,4)14/h6-10,14H2,1-5H3,(H,15,16).
What are the key properties of 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide?
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide has a molecular weight of 260.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethyl-2-methylsulfanylbutyl)-4-methylpentanamide is sourced from PubChem (CID 103812548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).