1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride

C11H16ClN3O3S — CID 82911264

IUPAC1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC1CC1
InChIInChI=1S/C11H16ClN3O3S/c1-2-9-14-11(19(12,17)18)7-15(9)6-10(16)13-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyZCBKOBFYDOWTMV-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.90
Rot. Bonds6

About 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride

1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride (PubChem CID 82911264) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride
PubChem CID82911264
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC1CC1
InChIInChI=1S/C11H16ClN3O3S/c1-2-9-14-11(19(12,17)18)7-15(9)6-10(16)13-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyZCBKOBFYDOWTMV-UHFFFAOYSA-N
XLogP0.90
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]imidazole-4-sulfonyl chloride
CID 82911196
2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride
CID 82913177
1-(cyclobutylmethyl)-2-ethylimidazole-4-sulfonyl chloride
CID 65457015
1-[2-oxo-2-(prop-2-ynylamino)ethyl]-2-propylimidazole-4-sulfonyl chloride
CID 82913196
1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911637
1-[2-(cyclopropylmethylamino)-2-oxoethyl]pyrazole-4-sulfonyl chloride
CID 82911791
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-propylimidazole-4-sulfonyl chloride
CID 82912093
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
CID 82913602
2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride
CID 106728499
1-(2-methylprop-2-enyl)-2-propylimidazole-4-sulfonyl chloride
CID 82911662
1-[3-(methylamino)-3-oxopropyl]-2-propylimidazole-4-sulfonyl chloride
CID 82911287

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride (CID 82911264) is 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CC(=O)NCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride?
The InChIKey is ZCBKOBFYDOWTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-2-9-14-11(19(12,17)18)7-15(9)6-10(16)13-5-8-3-4-8/h7-8H,2-6H2,1H3,(H,13,16).
What are the key properties of 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride?
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride has a molecular weight of 305.79 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-ethylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).