N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide

C11H23NOS2 — CID 89336031

IUPACN-butyl-4-methyl-4-(methyldisulfanyl)pentanamide
SMILESCCCCNC(=O)CCC(C)(C)SSC
InChIInChI=1S/C11H23NOS2/c1-5-6-9-12-10(13)7-8-11(2,3)15-14-4/h5-9H2,1-4H3,(H,12,13)
InChIKeySHGNLFWYFMRINX-UHFFFAOYSA-N
MW249.44 g/mol
LogP3.47
Rot. Bonds8

About N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide

N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide (PubChem CID 89336031) has the molecular formula C11H23NOS2 and a molecular weight of 249.44 g/mol. Its IUPAC name is N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide.

Molecular Properties

Compound NameN-butyl-4-methyl-4-(methyldisulfanyl)pentanamide
PubChem CID89336031
Molecular FormulaC11H23NOS2
Molecular Weight249.44 g/mol
Exact Mass249.12
IUPAC NameN-butyl-4-methyl-4-(methyldisulfanyl)pentanamide
SMILESCCCCNC(=O)CCC(C)(C)SSC
InChIInChI=1S/C11H23NOS2/c1-5-6-9-12-10(13)7-8-11(2,3)15-14-4/h5-9H2,1-4H3,(H,12,13)
InChIKeySHGNLFWYFMRINX-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 53.47
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

N-butyl-10,10-dimethylundecanamide
CID 19922141
N-dodecyl-4,4-dimethylhexanamide
CID 88894406
4-[(1-acetamido-2-methylpropan-2-yl)disulfanyl]-4-methyl-N-(3-oxopentyl)pentanamide
CID 155062879
N-[5-[2-(hydroxymethyl)-6-(nitrosomethyl)-4-pyridinyl]pentyl]-4-methyl-4-(methyldisulfanyl)pentanamide
CID 143515763
N-[3-[[2-(hydroxymethyl)-6-(nitrosomethyl)-4-pyridinyl]oxy]propyl]-4-methyl-4-(methyldisulfanyl)pentanamide
CID 163747525
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
7-(butylamino)-7-oxo-4,4-bis(phenylsulfanyl)heptanoic acid
CID 166768173
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-butyl-4-chlorobutanamide
CID 4218503

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide?
The IUPAC name of N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide (CID 89336031) is N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide.
What is the SMILES notation for N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide?
The canonical SMILES for N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide is CCCCNC(=O)CCC(C)(C)SSC.
What is the InChIKey of N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide?
The InChIKey is SHGNLFWYFMRINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS2/c1-5-6-9-12-10(13)7-8-11(2,3)15-14-4/h5-9H2,1-4H3,(H,12,13).
What are the key properties of N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide?
N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide has a molecular weight of 249.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-4-(methyldisulfanyl)pentanamide is sourced from PubChem (CID 89336031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).