4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide

C11H18N2O2S — CID 154972117

IUPAC4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide
SMILESCc1cn(CCC2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C11H18N2O2S/c1-10-8-13(9-12-10)5-2-11-3-6-16(14,15)7-4-11/h8-9,11H,2-7H2,1H3
InChIKeyQHNUVGKSICNBDH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.41
Rot. Bonds3

About 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide

4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide (PubChem CID 154972117) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide
PubChem CID154972117
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide
SMILESCc1cn(CCC2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C11H18N2O2S/c1-10-8-13(9-12-10)5-2-11-3-6-16(14,15)7-4-11/h8-9,11H,2-7H2,1H3
InChIKeyQHNUVGKSICNBDH-UHFFFAOYSA-N
XLogP1.41
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide?
The IUPAC name of 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide (CID 154972117) is 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide is Cc1cn(CCC2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide?
The InChIKey is QHNUVGKSICNBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10-8-13(9-12-10)5-2-11-3-6-16(14,15)7-4-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide?
4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide has a molecular weight of 242.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 154972117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).