4-methyl-N-(2-sulfanylethyl)pentanamide

C8H17NOS — CID 163643909

IUPAC4-methyl-N-(2-sulfanylethyl)pentanamide
SMILESCC(C)CCC(=O)NCCS
InChIInChI=1S/C8H17NOS/c1-7(2)3-4-8(10)9-5-6-11/h7,11H,3-6H2,1-2H3,(H,9,10)
InChIKeyIGPWWUTUUCRUMK-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.47
Rot. Bonds5

About 4-methyl-N-(2-sulfanylethyl)pentanamide

4-methyl-N-(2-sulfanylethyl)pentanamide (PubChem CID 163643909) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-methyl-N-(2-sulfanylethyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(2-sulfanylethyl)pentanamide
PubChem CID163643909
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-methyl-N-(2-sulfanylethyl)pentanamide
SMILESCC(C)CCC(=O)NCCS
InChIInChI=1S/C8H17NOS/c1-7(2)3-4-8(10)9-5-6-11/h7,11H,3-6H2,1-2H3,(H,9,10)
InChIKeyIGPWWUTUUCRUMK-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-sulfanylethyl)pentanamide?
The IUPAC name of 4-methyl-N-(2-sulfanylethyl)pentanamide (CID 163643909) is 4-methyl-N-(2-sulfanylethyl)pentanamide.
What is the SMILES notation for 4-methyl-N-(2-sulfanylethyl)pentanamide?
The canonical SMILES for 4-methyl-N-(2-sulfanylethyl)pentanamide is CC(C)CCC(=O)NCCS.
What is the InChIKey of 4-methyl-N-(2-sulfanylethyl)pentanamide?
The InChIKey is IGPWWUTUUCRUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2)3-4-8(10)9-5-6-11/h7,11H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 4-methyl-N-(2-sulfanylethyl)pentanamide?
4-methyl-N-(2-sulfanylethyl)pentanamide has a molecular weight of 175.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-sulfanylethyl)pentanamide is sourced from PubChem (CID 163643909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).