1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride

C12H19ClN2O2S — CID 64730131

IUPAC1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1C1CC(C)CC(C)C1
InChIInChI=1S/C12H19ClN2O2S/c1-8-4-9(2)6-11(5-8)15-7-12(14-10(15)3)18(13,16)17/h7-9,11H,4-6H2,1-3H3
InChIKeyMQKIVTDTAOVDRE-UHFFFAOYSA-N
MW290.82 g/mol
LogP3.12
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride

1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride (PubChem CID 64730131) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride
PubChem CID64730131
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1C1CC(C)CC(C)C1
InChIInChI=1S/C12H19ClN2O2S/c1-8-4-9(2)6-11(5-8)15-7-12(14-10(15)3)18(13,16)17/h7-9,11H,4-6H2,1-3H3
InChIKeyMQKIVTDTAOVDRE-UHFFFAOYSA-N
XLogP3.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride (CID 64730131) is 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride?
The InChIKey is MQKIVTDTAOVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-8-4-9(2)6-11(5-8)15-7-12(14-10(15)3)18(13,16)17/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride?
1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride has a molecular weight of 290.82 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-methylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 64730131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).