2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide

C10H22N2OS — CID 115734470

IUPAC2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
SMILESCCSCCC(C)NC(=O)C(N)CC
InChIInChI=1S/C10H22N2OS/c1-4-9(11)10(13)12-8(3)6-7-14-5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyUXHWJMREMHWBMP-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.37
Rot. Bonds7

About 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide

2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide (PubChem CID 115734470) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
PubChem CID115734470
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
SMILESCCSCCC(C)NC(=O)C(N)CC
InChIInChI=1S/C10H22N2OS/c1-4-9(11)10(13)12-8(3)6-7-14-5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyUXHWJMREMHWBMP-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.37
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

N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
(2S,3S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylpentanamide
CID 103833178
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide
CID 103831790
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-4-methylpentanamide
CID 113266963
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
2-amino-N-octan-2-ylbutanamide
CID 43711439
2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoacetic acid
CID 104768118

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide?
The IUPAC name of 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide (CID 115734470) is 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide is CCSCCC(C)NC(=O)C(N)CC.
What is the InChIKey of 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide?
The InChIKey is UXHWJMREMHWBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-9(11)10(13)12-8(3)6-7-14-5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide?
2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide is sourced from PubChem (CID 115734470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).