5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide

C9H19NOS2 — CID 23104764

IUPAC5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide
SMILESCCC(CS)NC(=O)CCCCS
InChIInChI=1S/C9H19NOS2/c1-2-8(7-13)10-9(11)5-3-4-6-12/h8,12-13H,2-7H2,1H3,(H,10,11)
InChIKeyODDNOBDIQIBUHW-UHFFFAOYSA-N
MW221.39 g/mol
LogP1.91
Rot. Bonds7

About 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide

5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide (PubChem CID 23104764) has the molecular formula C9H19NOS2 and a molecular weight of 221.39 g/mol. Its IUPAC name is 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide
PubChem CID23104764
Molecular FormulaC9H19NOS2
Molecular Weight221.39 g/mol
Exact Mass221.09
IUPAC Name5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide
SMILESCCC(CS)NC(=O)CCCCS
InChIInChI=1S/C9H19NOS2/c1-2-8(7-13)10-9(11)5-3-4-6-12/h8,12-13H,2-7H2,1H3,(H,10,11)
InChIKeyODDNOBDIQIBUHW-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide?
The IUPAC name of 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide (CID 23104764) is 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide.
What is the SMILES notation for 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide?
The canonical SMILES for 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide is CCC(CS)NC(=O)CCCCS.
What is the InChIKey of 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide?
The InChIKey is ODDNOBDIQIBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS2/c1-2-8(7-13)10-9(11)5-3-4-6-12/h8,12-13H,2-7H2,1H3,(H,10,11).
What are the key properties of 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide?
5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide has a molecular weight of 221.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanyl-N-(1-sulfanylbutan-2-yl)pentanamide is sourced from PubChem (CID 23104764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).