3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride

C11H17ClN2O2S — CID 112552252

IUPAC3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)c2n1C(CC)CCC2
InChIInChI=1S/C11H17ClN2O2S/c1-3-8-6-5-7-9-11(17(12,15)16)13-10(4-2)14(8)9/h8H,3-7H2,1-2H3
InChIKeyOCUSDDFVHPYWCP-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.66
Rot. Bonds3

About 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride

3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride (PubChem CID 112552252) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride.

Molecular Properties

Compound Name3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride
PubChem CID112552252
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)c2n1C(CC)CCC2
InChIInChI=1S/C11H17ClN2O2S/c1-3-8-6-5-7-9-11(17(12,15)16)13-10(4-2)14(8)9/h8H,3-7H2,1-2H3
InChIKeyOCUSDDFVHPYWCP-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552066
1-chloro-3-ethyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247786
1-(3-ethyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine
CID 83883498
3-ethyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride
CID 112552253
(5-ethyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine
CID 112552566
3-ethyl-N,5-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 112552225
3-ethyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552271
1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride
CID 65457015
(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
CID 127010204
5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 112552424
5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 112552400
2-chloro-5-(2-ethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 43456226

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The IUPAC name of 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride (CID 112552252) is 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride.
What is the SMILES notation for 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The canonical SMILES for 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)c2n1C(CC)CCC2.
What is the InChIKey of 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride?
The InChIKey is OCUSDDFVHPYWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-3-8-6-5-7-9-11(17(12,15)16)13-10(4-2)14(8)9/h8H,3-7H2,1-2H3.
What are the key properties of 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride?
3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride has a molecular weight of 276.79 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride is sourced from PubChem (CID 112552252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).