3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide

C15H25N3O2S — CID 64859342

IUPAC3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide
SMILESCC(C)Cc1nc2c(n1C1(C)CCS(=O)(=O)C1)CCNC2
InChIInChI=1S/C15H25N3O2S/c1-11(2)8-14-17-12-9-16-6-4-13(12)18(14)15(3)5-7-21(19,20)10-15/h11,16H,4-10H2,1-3H3
InChIKeyBAOMEMONACAJAH-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.26
Rot. Bonds3

About 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide

3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide (PubChem CID 64859342) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide
PubChem CID64859342
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide
SMILESCC(C)Cc1nc2c(n1C1(C)CCS(=O)(=O)C1)CCNC2
InChIInChI=1S/C15H25N3O2S/c1-11(2)8-14-17-12-9-16-6-4-13(12)18(14)15(3)5-7-21(19,20)10-15/h11,16H,4-10H2,1-3H3
InChIKeyBAOMEMONACAJAH-UHFFFAOYSA-N
XLogP1.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide (CID 64859342) is 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide is CC(C)Cc1nc2c(n1C1(C)CCS(=O)(=O)C1)CCNC2.
What is the InChIKey of 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide?
The InChIKey is BAOMEMONACAJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)8-14-17-12-9-16-6-4-13(12)18(14)15(3)5-7-21(19,20)10-15/h11,16H,4-10H2,1-3H3.
What are the key properties of 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide?
3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide has a molecular weight of 311.45 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 64859342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).