2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide

C13H24N2O2S — CID 51359920

IUPAC2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCC2)CN1C1CCCCC1
InChIInChI=1S/C13H24N2O2S/c16-18(17)11-13(14-8-4-5-9-14)10-15(18)12-6-2-1-3-7-12/h12-13H,1-11H2
InChIKeyCYNXFPWKNCDZMY-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.43
Rot. Bonds2

About 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide

2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 51359920) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID51359920
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CC(N2CCCC2)CN1C1CCCCC1
InChIInChI=1S/C13H24N2O2S/c16-18(17)11-13(14-8-4-5-9-14)10-15(18)12-6-2-1-3-7-12/h12-13H,1-11H2
InChIKeyCYNXFPWKNCDZMY-UHFFFAOYSA-N
XLogP1.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide (CID 51359920) is 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CC(N2CCCC2)CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CYNXFPWKNCDZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-18(17)11-13(14-8-4-5-9-14)10-15(18)12-6-2-1-3-7-12/h12-13H,1-11H2.
What are the key properties of 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide?
2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 51359920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).