5-sulfanyl-N-(sulfanylmethyl)pentanamide

C6H13NOS2 — CID 86074626

IUPAC5-sulfanyl-N-(sulfanylmethyl)pentanamide
SMILESO=C(CCCCS)NCS
InChIInChI=1S/C6H13NOS2/c8-6(7-5-10)3-1-2-4-9/h9-10H,1-5H2,(H,7,8)
InChIKeyRRQSHBDJWFHBTN-UHFFFAOYSA-N
MW179.31 g/mol
LogP1.09
Rot. Bonds5

About 5-sulfanyl-N-(sulfanylmethyl)pentanamide

5-sulfanyl-N-(sulfanylmethyl)pentanamide (PubChem CID 86074626) has the molecular formula C6H13NOS2 and a molecular weight of 179.31 g/mol. Its IUPAC name is 5-sulfanyl-N-(sulfanylmethyl)pentanamide.

Molecular Properties

Compound Name5-sulfanyl-N-(sulfanylmethyl)pentanamide
PubChem CID86074626
Molecular FormulaC6H13NOS2
Molecular Weight179.31 g/mol
Exact Mass179.04
IUPAC Name5-sulfanyl-N-(sulfanylmethyl)pentanamide
SMILESO=C(CCCCS)NCS
InChIInChI=1S/C6H13NOS2/c8-6(7-5-10)3-1-2-4-9/h9-10H,1-5H2,(H,7,8)
InChIKeyRRQSHBDJWFHBTN-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-sulfanyl-N-(sulfanylmethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
N-hydroxy-31-sulfanylhentriacontanamide
CID 87684217
N-hydroxy-26-sulfanylhexacosanamide
CID 87681311
N-hydroxy-11-sulfanylundecanamide
CID 87682134
N-prop-2-ynyl-11-sulfanylundecanamide
CID 102527200
N-methyl-6-sulfanylhexanamide
CID 58262294
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-hexyl-8-sulfanyloctanamide
CID 101094845
6-amino-N-(4-sulfanylbutyl)hexanamide
CID 162689311
N-pentyl-11-sulfanylundecanamide
CID 102272005
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
CID 166028734
N-(cyclopentylmethyl)-11-sulfanylundecanamide
CID 59137895

Frequently Asked Questions

What is the IUPAC name of 5-sulfanyl-N-(sulfanylmethyl)pentanamide?
The IUPAC name of 5-sulfanyl-N-(sulfanylmethyl)pentanamide (CID 86074626) is 5-sulfanyl-N-(sulfanylmethyl)pentanamide.
What is the SMILES notation for 5-sulfanyl-N-(sulfanylmethyl)pentanamide?
The canonical SMILES for 5-sulfanyl-N-(sulfanylmethyl)pentanamide is O=C(CCCCS)NCS.
What is the InChIKey of 5-sulfanyl-N-(sulfanylmethyl)pentanamide?
The InChIKey is RRQSHBDJWFHBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS2/c8-6(7-5-10)3-1-2-4-9/h9-10H,1-5H2,(H,7,8).
What are the key properties of 5-sulfanyl-N-(sulfanylmethyl)pentanamide?
5-sulfanyl-N-(sulfanylmethyl)pentanamide has a molecular weight of 179.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanyl-N-(sulfanylmethyl)pentanamide is sourced from PubChem (CID 86074626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).