1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine

C11H18ClN3O2S — CID 43415248

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ncn(C)c2Cl)C1
InChIInChI=1S/C11H18ClN3O2S/c1-8-4-9(2)6-15(5-8)18(16,17)11-10(12)14(3)7-13-11/h7-9H,4-6H2,1-3H3
InChIKeyCCODULVCVGJLAJ-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.74
Rot. Bonds2

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 43415248) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine
PubChem CID43415248
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2ncn(C)c2Cl)C1
InChIInChI=1S/C11H18ClN3O2S/c1-8-4-9(2)6-15(5-8)18(16,17)11-10(12)14(3)7-13-11/h7-9H,4-6H2,1-3H3
InChIKeyCCODULVCVGJLAJ-UHFFFAOYSA-N
XLogP1.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine (CID 43415248) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2ncn(C)c2Cl)C1.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is CCODULVCVGJLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-8-4-9(2)6-15(5-8)18(16,17)11-10(12)14(3)7-13-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 291.80 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 43415248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).