3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide

C14H22N2O2S — CID 56865181

IUPAC3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Cn2ccnc2C2CCCCC2)C1
InChIInChI=1S/C14H22N2O2S/c17-19(18)9-6-12(11-19)10-16-8-7-15-14(16)13-4-2-1-3-5-13/h7-8,12-13H,1-6,9-11H2
InChIKeyWHQWQUZHCOWOIY-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.37
Rot. Bonds3

About 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide

3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 56865181) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID56865181
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Cn2ccnc2C2CCCCC2)C1
InChIInChI=1S/C14H22N2O2S/c17-19(18)9-6-12(11-19)10-16-8-7-15-14(16)13-4-2-1-3-5-13/h7-8,12-13H,1-6,9-11H2
InChIKeyWHQWQUZHCOWOIY-UHFFFAOYSA-N
XLogP2.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide (CID 56865181) is 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide is O=S1(=O)CCC(Cn2ccnc2C2CCCCC2)C1.
What is the InChIKey of 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is WHQWQUZHCOWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-19(18)9-6-12(11-19)10-16-8-7-15-14(16)13-4-2-1-3-5-13/h7-8,12-13H,1-6,9-11H2.
What are the key properties of 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide?
3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 282.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 56865181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).