3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide

C14H23N3O2S — CID 114720394

IUPAC3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide
SMILESCC1(c2cncn2C2CCCS(=O)(=O)C2)CCNCC1
InChIInChI=1S/C14H23N3O2S/c1-14(4-6-15-7-5-14)13-9-16-11-17(13)12-3-2-8-20(18,19)10-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyOYASKOOUZLLSKW-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.27
Rot. Bonds2

About 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide

3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide (PubChem CID 114720394) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide.

Molecular Properties

Compound Name3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide
PubChem CID114720394
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide
SMILESCC1(c2cncn2C2CCCS(=O)(=O)C2)CCNCC1
InChIInChI=1S/C14H23N3O2S/c1-14(4-6-15-7-5-14)13-9-16-11-17(13)12-3-2-8-20(18,19)10-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyOYASKOOUZLLSKW-UHFFFAOYSA-N
XLogP1.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide?
The IUPAC name of 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide (CID 114720394) is 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide.
What is the SMILES notation for 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide?
The canonical SMILES for 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide is CC1(c2cncn2C2CCCS(=O)(=O)C2)CCNCC1.
What is the InChIKey of 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide?
The InChIKey is OYASKOOUZLLSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(4-6-15-7-5-14)13-9-16-11-17(13)12-3-2-8-20(18,19)10-12/h9,11-12,15H,2-8,10H2,1H3.
What are the key properties of 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide?
3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide has a molecular weight of 297.42 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]thiane 1,1-dioxide is sourced from PubChem (CID 114720394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).