2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide

C8H16N2O2S2 — CID 87477229

IUPAC2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide
SMILESCCC(SSC(CC)C(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2S2/c1-3-5(7(9)11)13-14-6(4-2)8(10)12/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyHNUHKTLFKOQKEJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.90
Rot. Bonds7

About 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide

2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide (PubChem CID 87477229) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide.

Molecular Properties

Compound Name2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide
PubChem CID87477229
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide
SMILESCCC(SSC(CC)C(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2S2/c1-3-5(7(9)11)13-14-6(4-2)8(10)12/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyHNUHKTLFKOQKEJ-UHFFFAOYSA-N
XLogP0.90
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-1-oxobutan-2-yl)sulfanylbutanoic acid
CID 105353104
(1-amino-1-oxobutan-2-yl) carbamimidothioate
CID 65211982
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728
2-(4-chlorophenyl)sulfanylbutanamide
CID 43916551
2-aminobutanamide;hydrochloride
CID 14333659
(2S)-2-bromobutanamide
CID 51414846
methane;2-methylbutanamide
CID 158835184
2-hydroxybutanamide;hydrochloride
CID 87384831
2-(2-amino-3-methylphenyl)sulfanylbutanamide
CID 79146669
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
2-(2,4-difluorophenyl)sulfanylbutanamide
CID 62899928
2-(1,3-thiazol-2-ylsulfanyl)butanamide
CID 62900689

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide?
The IUPAC name of 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide (CID 87477229) is 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide.
What is the SMILES notation for 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide?
The canonical SMILES for 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide is CCC(SSC(CC)C(N)=O)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide?
The InChIKey is HNUHKTLFKOQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-3-5(7(9)11)13-14-6(4-2)8(10)12/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide?
2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide has a molecular weight of 236.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxobutan-2-yl)disulfanyl]butanamide is sourced from PubChem (CID 87477229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).