4-methyl-N-(6-methylsulfanylhexyl)pentanamide

C13H27NOS — CID 126587258

IUPAC4-methyl-N-(6-methylsulfanylhexyl)pentanamide
SMILESCSCCCCCCNC(=O)CCC(C)C
InChIInChI=1S/C13H27NOS/c1-12(2)8-9-13(15)14-10-6-4-5-7-11-16-3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyNWBJNJDNARHYFX-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.46
Rot. Bonds10

About 4-methyl-N-(6-methylsulfanylhexyl)pentanamide

4-methyl-N-(6-methylsulfanylhexyl)pentanamide (PubChem CID 126587258) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 4-methyl-N-(6-methylsulfanylhexyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(6-methylsulfanylhexyl)pentanamide
PubChem CID126587258
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name4-methyl-N-(6-methylsulfanylhexyl)pentanamide
SMILESCSCCCCCCNC(=O)CCC(C)C
InChIInChI=1S/C13H27NOS/c1-12(2)8-9-13(15)14-10-6-4-5-7-11-16-3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyNWBJNJDNARHYFX-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methylsulfanylhexyl)pentanamide?
The IUPAC name of 4-methyl-N-(6-methylsulfanylhexyl)pentanamide (CID 126587258) is 4-methyl-N-(6-methylsulfanylhexyl)pentanamide.
What is the SMILES notation for 4-methyl-N-(6-methylsulfanylhexyl)pentanamide?
The canonical SMILES for 4-methyl-N-(6-methylsulfanylhexyl)pentanamide is CSCCCCCCNC(=O)CCC(C)C.
What is the InChIKey of 4-methyl-N-(6-methylsulfanylhexyl)pentanamide?
The InChIKey is NWBJNJDNARHYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-12(2)8-9-13(15)14-10-6-4-5-7-11-16-3/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-N-(6-methylsulfanylhexyl)pentanamide?
4-methyl-N-(6-methylsulfanylhexyl)pentanamide has a molecular weight of 245.43 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methylsulfanylhexyl)pentanamide is sourced from PubChem (CID 126587258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).