5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide

C10H17NO3S2 — CID 57078512

IUPAC5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide
SMILESNC(=O)C(CCC(=O)CS)CCC(=O)CS
InChIInChI=1S/C10H17NO3S2/c11-10(14)7(1-3-8(12)5-15)2-4-9(13)6-16/h7,15-16H,1-6H2,(H2,11,14)
InChIKeyMPBNQEXJFFIVJO-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.65
Rot. Bonds9

About 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide

5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide (PubChem CID 57078512) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide.

Molecular Properties

Compound Name5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide
PubChem CID57078512
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC Name5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide
SMILESNC(=O)C(CCC(=O)CS)CCC(=O)CS
InChIInChI=1S/C10H17NO3S2/c11-10(14)7(1-3-8(12)5-15)2-4-9(13)6-16/h7,15-16H,1-6H2,(H2,11,14)
InChIKeyMPBNQEXJFFIVJO-UHFFFAOYSA-N
XLogP0.65
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-oxo-6-sulfanylhexanamide
CID 168665424
2-(2-hydroxyethyl)pentanediamide
CID 23104502
6-amino-4-carbamoylhexanoic acid
CID 87906467
(4R)-4-carbamoylheptanoic acid
CID 171618269
(2S)-2-ethylpentanediamide
CID 146526357
2-(3-aminopropyl)hexanediamide
CID 174684338
4-chloro-1-sulfanylbutan-2-one
CID 141271602
(2S,5R)-5-amino-4-oxo-6-sulfanyl-2-(sulfanylmethyl)hexanamide
CID 158260312
9-amino-6-carbamoyl-2-methylsulfanyl-9-oxononanoic acid
CID 87656016
2-(2-hydroxypropyl)pentanediamide
CID 23104492
4-sulfanyl-2-(2-sulfanylethyl)pentanamide
CID 91107688
2,9-dibutyldecanediamide
CID 141080467

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide?
The IUPAC name of 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide (CID 57078512) is 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide.
What is the SMILES notation for 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide?
The canonical SMILES for 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide is NC(=O)C(CCC(=O)CS)CCC(=O)CS.
What is the InChIKey of 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide?
The InChIKey is MPBNQEXJFFIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c11-10(14)7(1-3-8(12)5-15)2-4-9(13)6-16/h7,15-16H,1-6H2,(H2,11,14).
What are the key properties of 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide?
5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide has a molecular weight of 263.38 g/mol, XLogP of 0.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide is sourced from PubChem (CID 57078512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).