3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide

C11H24N2OS — CID 115740017

IUPAC3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
SMILESCCSCCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2OS/c1-5-15-7-6-9(2)13-10(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeySMAYLMZEXACGQC-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.76
Rot. Bonds7

About 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide

3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide (PubChem CID 115740017) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
PubChem CID115740017
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
SMILESCCSCCC(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2OS/c1-5-15-7-6-9(2)13-10(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeySMAYLMZEXACGQC-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
3-amino-N-hexan-2-yl-3-methylbutanamide
CID 64677229
3-amino-3-methyl-N-octan-2-ylbutanamide
CID 64684049
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
3-amino-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylpropanamide
CID 115740019
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
2-[2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104588503
2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoacetic acid
CID 104768118
2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
CID 115734470
N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride
CID 119791046
(2S,3S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylpentanamide
CID 103833178
(3R)-3-cyclopropyl-N-[(2R)-4-ethylsulfanylbutan-2-yl]-3-hydroxy-3-phenylpropanamide
CID 97030095

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide (CID 115740017) is 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide is CCSCCC(C)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide?
The InChIKey is SMAYLMZEXACGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-15-7-6-9(2)13-10(14)8-11(3,4)12/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide?
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 115740017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).