4-(methyldisulfanyl)butanamide

C5H11NOS2 — CID 163680091

IUPAC4-(methyldisulfanyl)butanamide
SMILESCSSCCCC(N)=O
InChIInChI=1S/C5H11NOS2/c1-8-9-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKeyJKCCVATZOUCUED-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.26
Rot. Bonds5

About 4-(methyldisulfanyl)butanamide

4-(methyldisulfanyl)butanamide (PubChem CID 163680091) has the molecular formula C5H11NOS2 and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-(methyldisulfanyl)butanamide.

Molecular Properties

Compound Name4-(methyldisulfanyl)butanamide
PubChem CID163680091
Molecular FormulaC5H11NOS2
Molecular Weight165.28 g/mol
Exact Mass165.03
IUPAC Name4-(methyldisulfanyl)butanamide
SMILESCSSCCCC(N)=O
InChIInChI=1S/C5H11NOS2/c1-8-9-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKeyJKCCVATZOUCUED-UHFFFAOYSA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexanediamide;methoxymethane
CID 87287786
5-(methyldisulfanyl)-1-(2-oxopropylimino)pentan-2-one
CID 158659403
1-(methyldisulfanyl)pentan-3-one
CID 91237691
docosanediamide;hexacosanediamide
CID 129179979
hexanediamide;hydrazine
CID 160978463
dodecanediamide;nonanediamide
CID 175017820
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160854105
copper;tridecanediamide
CID 159780260
bis(butanediamide);sulfur dioxide
CID 175182532
3-(methylaminodisulfanyl)propanamide
CID 138457429

Frequently Asked Questions

What is the IUPAC name of 4-(methyldisulfanyl)butanamide?
The IUPAC name of 4-(methyldisulfanyl)butanamide (CID 163680091) is 4-(methyldisulfanyl)butanamide.
What is the SMILES notation for 4-(methyldisulfanyl)butanamide?
The canonical SMILES for 4-(methyldisulfanyl)butanamide is CSSCCCC(N)=O.
What is the InChIKey of 4-(methyldisulfanyl)butanamide?
The InChIKey is JKCCVATZOUCUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS2/c1-8-9-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7).
What are the key properties of 4-(methyldisulfanyl)butanamide?
4-(methyldisulfanyl)butanamide has a molecular weight of 165.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyldisulfanyl)butanamide is sourced from PubChem (CID 163680091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).