4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide

C15H25N3O2S — CID 64856948

IUPAC4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide
SMILESCC(C)(C)c1nc2c(n1C1CCS(=O)(=O)CC1)CCNC2
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)14-17-12-10-16-7-4-13(12)18(14)11-5-8-21(19,20)9-6-11/h11,16H,4-10H2,1-3H3
InChIKeyFMOMMQLXAASLTN-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.58
Rot. Bonds1

About 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide

4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide (PubChem CID 64856948) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide
PubChem CID64856948
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide
SMILESCC(C)(C)c1nc2c(n1C1CCS(=O)(=O)CC1)CCNC2
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)14-17-12-10-16-7-4-13(12)18(14)11-5-8-21(19,20)9-6-11/h11,16H,4-10H2,1-3H3
InChIKeyFMOMMQLXAASLTN-UHFFFAOYSA-N
XLogP1.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide (CID 64856948) is 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide is CC(C)(C)c1nc2c(n1C1CCS(=O)(=O)CC1)CCNC2.
What is the InChIKey of 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide?
The InChIKey is FMOMMQLXAASLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)14-17-12-10-16-7-4-13(12)18(14)11-5-8-21(19,20)9-6-11/h11,16H,4-10H2,1-3H3.
What are the key properties of 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide?
4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide has a molecular weight of 311.45 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64856948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).