4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one

C10H15NO2S — CID 122332121

IUPAC4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one
SMILESO=C1CCC(C(=O)N2CCSC2)CC1
InChIInChI=1S/C10H15NO2S/c12-9-3-1-8(2-4-9)10(13)11-5-6-14-7-11/h8H,1-7H2
InChIKeyQEOHLROIQADWLW-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.28
Rot. Bonds1

About 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one

4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one (PubChem CID 122332121) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one
PubChem CID122332121
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one
SMILESO=C1CCC(C(=O)N2CCSC2)CC1
InChIInChI=1S/C10H15NO2S/c12-9-3-1-8(2-4-9)10(13)11-5-6-14-7-11/h8H,1-7H2
InChIKeyQEOHLROIQADWLW-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one?
The IUPAC name of 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one (CID 122332121) is 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one.
What is the SMILES notation for 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one?
The canonical SMILES for 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one is O=C1CCC(C(=O)N2CCSC2)CC1.
What is the InChIKey of 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one?
The InChIKey is QEOHLROIQADWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-9-3-1-8(2-4-9)10(13)11-5-6-14-7-11/h8H,1-7H2.
What are the key properties of 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one?
4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one has a molecular weight of 213.30 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 122332121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).