2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride

C10H14ClN3O4S — CID 82913158

IUPAC2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCOCC1
InChIInChI=1S/C10H14ClN3O4S/c1-8-12-9(19(11,16)17)6-14(8)7-10(15)13-2-4-18-5-3-13/h6H,2-5,7H2,1H3
InChIKeyPHVHYEQGBUIEEL-UHFFFAOYSA-N
MW307.76 g/mol
LogP-0.02
Rot. Bonds3

About 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride

2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride (PubChem CID 82913158) has the molecular formula C10H14ClN3O4S and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride
PubChem CID82913158
Molecular FormulaC10H14ClN3O4S
Molecular Weight307.76 g/mol
Exact Mass307.04
IUPAC Name2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCOCC1
InChIInChI=1S/C10H14ClN3O4S/c1-8-12-9(19(11,16)17)6-14(8)7-10(15)13-2-4-18-5-3-13/h6H,2-5,7H2,1H3
InChIKeyPHVHYEQGBUIEEL-UHFFFAOYSA-N
XLogP-0.02
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)imidazole-4-sulfonyl chloride
CID 82913177
2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 115616713
1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82912926
1-(2-morpholin-4-ylethyl)-2-propylimidazole-4-sulfonyl chloride
CID 82913869
1-but-3-ynyl-2-methylimidazole-4-sulfonyl chloride
CID 82913820
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone
CID 20949851
2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonyl chloride
CID 106728498
1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
CID 19622291
2-(2-aminoimidazol-1-yl)-1-morpholin-4-ylethanone
CID 165481917
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 648485
1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
CID 115944330
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate
CID 171315068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride (CID 82913158) is 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1CC(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride?
The InChIKey is PHVHYEQGBUIEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S/c1-8-12-9(19(11,16)17)6-14(8)7-10(15)13-2-4-18-5-3-13/h6H,2-5,7H2,1H3.
What are the key properties of 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride?
2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride has a molecular weight of 307.76 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).