1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride

C8H11ClN2O2S — CID 165495642

IUPAC1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride
SMILESCn1ccnc1CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H11ClN2O2S/c1-11-5-4-10-7(11)6-8(2-3-8)14(9,12)13/h4-5H,2-3,6H2,1H3
InChIKeyZCLHZYWJXCBLAI-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.06
Rot. Bonds3

About 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride

1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride (PubChem CID 165495642) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride
PubChem CID165495642
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride
SMILESCn1ccnc1CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H11ClN2O2S/c1-11-5-4-10-7(11)6-8(2-3-8)14(9,12)13/h4-5H,2-3,6H2,1H3
InChIKeyZCLHZYWJXCBLAI-UHFFFAOYSA-N
XLogP1.06
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
2-(ethylsulfonylmethyl)-1-methylimidazole
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2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
CID 90239240
1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 79743850
2-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylimidazole
CID 79760494
1-[(1-methylimidazol-2-yl)methyl]imidazole-4-sulfonyl chloride
CID 82911209
[1-[(1-methylimidazol-2-yl)methylamino]cyclopropyl]methanol
CID 115763066
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride (CID 165495642) is 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride is Cn1ccnc1CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride?
The InChIKey is ZCLHZYWJXCBLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-11-5-4-10-7(11)6-8(2-3-8)14(9,12)13/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride?
1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride has a molecular weight of 234.71 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165495642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).