5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one

C11H19NOS3 — CID 18357980

IUPAC5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESO=C(CCCCC1CCSS1)N1CCSC1
InChIInChI=1S/C11H19NOS3/c13-11(12-6-8-14-9-12)4-2-1-3-10-5-7-15-16-10/h10H,1-9H2
InChIKeyLOBBJORWILYJJD-UHFFFAOYSA-N
MW277.48 g/mol
LogP3.23
Rot. Bonds5

About 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one

5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one (PubChem CID 18357980) has the molecular formula C11H19NOS3 and a molecular weight of 277.48 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one
PubChem CID18357980
Molecular FormulaC11H19NOS3
Molecular Weight277.48 g/mol
Exact Mass277.06
IUPAC Name5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESO=C(CCCCC1CCSS1)N1CCSC1
InChIInChI=1S/C11H19NOS3/c13-11(12-6-8-14-9-12)4-2-1-3-10-5-7-15-16-10/h10H,1-9H2
InChIKeyLOBBJORWILYJJD-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The IUPAC name of 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one (CID 18357980) is 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one.
What is the SMILES notation for 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The canonical SMILES for 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one is O=C(CCCCC1CCSS1)N1CCSC1.
What is the InChIKey of 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The InChIKey is LOBBJORWILYJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS3/c13-11(12-6-8-14-9-12)4-2-1-3-10-5-7-15-16-10/h10H,1-9H2.
What are the key properties of 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one?
5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one has a molecular weight of 277.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-1-(1,3-thiazolidin-3-yl)pentan-1-one is sourced from PubChem (CID 18357980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).