1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride

C10H15ClN2O2S — CID 65457015

IUPAC1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CC1CCC1
InChIInChI=1S/C10H15ClN2O2S/c1-2-9-12-10(16(11,14)15)7-13(9)6-8-4-3-5-8/h7-8H,2-6H2,1H3
InChIKeyUXXPPBCBSQVURE-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.17
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride

1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride (PubChem CID 65457015) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride
PubChem CID65457015
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CC1CCC1
InChIInChI=1S/C10H15ClN2O2S/c1-2-9-12-10(16(11,14)15)7-13(9)6-8-4-3-5-8/h7-8H,2-6H2,1H3
InChIKeyUXXPPBCBSQVURE-UHFFFAOYSA-N
XLogP2.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride
CID 82911264
2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride
CID 82913177
2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride
CID 106728499
2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride
CID 83160660
2-ethyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]imidazole-4-sulfonyl chloride
CID 82911196
2-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonyl chloride
CID 82912073
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylimidazole-4-sulfonyl chloride
CID 82913605
1-(2,2-difluoro-2-phenylethyl)-2-ethylimidazole-4-sulfonyl chloride
CID 116790221
2-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazole-4-sulfonyl chloride
CID 103013272
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
CID 82911787
2-ethyl-1-(3-imidazol-1-ylpropyl)imidazole-4-sulfonyl chloride
CID 82912941
1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide
CID 167932646

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride (CID 65457015) is 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride?
The InChIKey is UXXPPBCBSQVURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-2-9-12-10(16(11,14)15)7-13(9)6-8-4-3-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride?
1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 65457015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).