2-amino-4-butylsulfanylbutanamide

C8H18N2OS — CID 63034099

IUPAC2-amino-4-butylsulfanylbutanamide
SMILESCCCCSCCC(N)C(N)=O
InChIInChI=1S/C8H18N2OS/c1-2-3-5-12-6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H2,10,11)
InChIKeyCKBBAQVKTSCJOG-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.72
Rot. Bonds7

About 2-amino-4-butylsulfanylbutanamide

2-amino-4-butylsulfanylbutanamide (PubChem CID 63034099) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-amino-4-butylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-4-butylsulfanylbutanamide
PubChem CID63034099
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name2-amino-4-butylsulfanylbutanamide
SMILESCCCCSCCC(N)C(N)=O
InChIInChI=1S/C8H18N2OS/c1-2-3-5-12-6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H2,10,11)
InChIKeyCKBBAQVKTSCJOG-UHFFFAOYSA-N
XLogP0.72
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.72
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-4-(3,3-dimethylbutylsulfanyl)butanamide
CID 170770650
2-aminododecanamide;hydrochloride
CID 14881390
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954
2-amino-4-[3-(3-amino-3-carboxypropyl)sulfanylpropylsulfanyl]butanoic acid
CID 110192936
ethyl 2-amino-4-(6-hydroxyhexylsulfanyl)butanoate
CID 107703926
2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107771805
2-amino-4-(dibutylamino)butanamide
CID 63027628
1-amino-4-butylsulfanylbutan-2-ol
CID 64814469
(2S)-2-amino-4-(4-methylpentylsulfanyl)butanoic acid
CID 134212604
2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfanyl)butanamide
CID 170770590
diethyl 2-(2-butylsulfanylethyl)-3-oxobutanedioate
CID 13142863
methyl 4-butylsulfanyl-2-(ethylamino)butanoate
CID 63034459

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butylsulfanylbutanamide?
The IUPAC name of 2-amino-4-butylsulfanylbutanamide (CID 63034099) is 2-amino-4-butylsulfanylbutanamide.
What is the SMILES notation for 2-amino-4-butylsulfanylbutanamide?
The canonical SMILES for 2-amino-4-butylsulfanylbutanamide is CCCCSCCC(N)C(N)=O.
What is the InChIKey of 2-amino-4-butylsulfanylbutanamide?
The InChIKey is CKBBAQVKTSCJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-2-3-5-12-6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H2,10,11).
What are the key properties of 2-amino-4-butylsulfanylbutanamide?
2-amino-4-butylsulfanylbutanamide has a molecular weight of 190.31 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butylsulfanylbutanamide is sourced from PubChem (CID 63034099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).