3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide

C14H20N4O2S — CID 80515131

IUPAC3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)n1c(CC2CS(=O)(=O)CCN2)nc2cnccc21
InChIInChI=1S/C14H20N4O2S/c1-10(2)18-13-3-4-15-8-12(13)17-14(18)7-11-9-21(19,20)6-5-16-11/h3-4,8,10-11,16H,5-7,9H2,1-2H3
InChIKeyFBPSFSQJVGPNPC-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.94
Rot. Bonds3

About 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide

3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 80515131) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID80515131
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)n1c(CC2CS(=O)(=O)CCN2)nc2cnccc21
InChIInChI=1S/C14H20N4O2S/c1-10(2)18-13-3-4-15-8-12(13)17-14(18)7-11-9-21(19,20)6-5-16-11/h3-4,8,10-11,16H,5-7,9H2,1-2H3
InChIKeyFBPSFSQJVGPNPC-UHFFFAOYSA-N
XLogP0.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 80515131) is 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide is CC(C)n1c(CC2CS(=O)(=O)CCN2)nc2cnccc21.
What is the InChIKey of 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FBPSFSQJVGPNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10(2)18-13-3-4-15-8-12(13)17-14(18)7-11-9-21(19,20)6-5-16-11/h3-4,8,10-11,16H,5-7,9H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide?
3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 308.41 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80515131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).