5-methyl-5-sulfanylhexanamide

C7H15NOS — CID 174979963

IUPAC5-methyl-5-sulfanylhexanamide
SMILESCC(C)(S)CCCC(N)=O
InChIInChI=1S/C7H15NOS/c1-7(2,10)5-3-4-6(8)9/h10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyQTXYEWWUQFDJMO-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.35
Rot. Bonds4

About 5-methyl-5-sulfanylhexanamide

5-methyl-5-sulfanylhexanamide (PubChem CID 174979963) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 5-methyl-5-sulfanylhexanamide.

Molecular Properties

Compound Name5-methyl-5-sulfanylhexanamide
PubChem CID174979963
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name5-methyl-5-sulfanylhexanamide
SMILESCC(C)(S)CCCC(N)=O
InChIInChI=1S/C7H15NOS/c1-7(2,10)5-3-4-6(8)9/h10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyQTXYEWWUQFDJMO-UHFFFAOYSA-N
XLogP1.35
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.35
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 5-methyl-5-sulfanylhexanamide?
The IUPAC name of 5-methyl-5-sulfanylhexanamide (CID 174979963) is 5-methyl-5-sulfanylhexanamide.
What is the SMILES notation for 5-methyl-5-sulfanylhexanamide?
The canonical SMILES for 5-methyl-5-sulfanylhexanamide is CC(C)(S)CCCC(N)=O.
What is the InChIKey of 5-methyl-5-sulfanylhexanamide?
The InChIKey is QTXYEWWUQFDJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,10)5-3-4-6(8)9/h10H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 5-methyl-5-sulfanylhexanamide?
5-methyl-5-sulfanylhexanamide has a molecular weight of 161.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-sulfanylhexanamide is sourced from PubChem (CID 174979963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).