1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride

C6H8ClN3O3S — CID 82912245

IUPAC1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride
SMILESNC(=O)CCn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H8ClN3O3S/c7-14(12,13)6-3-10(4-9-6)2-1-5(8)11/h3-4H,1-2H2,(H2,8,11)
InChIKeyOGRIYAXLVULVCT-UHFFFAOYSA-N
MW237.67 g/mol
LogP-0.31
Rot. Bonds4

About 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride

1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride (PubChem CID 82912245) has the molecular formula C6H8ClN3O3S and a molecular weight of 237.67 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride
PubChem CID82912245
Molecular FormulaC6H8ClN3O3S
Molecular Weight237.67 g/mol
Exact Mass237.00
IUPAC Name1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride
SMILESNC(=O)CCn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H8ClN3O3S/c7-14(12,13)6-3-10(4-9-6)2-1-5(8)11/h3-4H,1-2H2,(H2,8,11)
InChIKeyOGRIYAXLVULVCT-UHFFFAOYSA-N
XLogP-0.31
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-1H-imidazole-4-sulfonyl chloride
CID 54595593
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 71685744
1-(3-Fluoropropyl)imidazole-4-sulfonyl chloride
CID 81113786
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazole-4-sulfonyl chloride
CID 82911008
N-(3-amino-2,2-difluoropropyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 120410045
N-(3-amino-2,2-difluoropropyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
CID 120410046
N-(3-amino-2,2-difluoropropyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 120411449
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazole-4-sulfonamide
CID 15100248
1-propyl-1H-imidazole-4-sulfonyl chloride
CID 15100267
3-Propylimidazole-4-sulfonyl chloride
CID 15100268
1H-Imidazole-4-sulfonyl chloride, 1-butyl-
CID 15100269
3-Butylimidazole-4-sulfonyl chloride
CID 15100270

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride (CID 82912245) is 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride is NC(=O)CCn1cnc(S(=O)(=O)Cl)c1.
What is the InChIKey of 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride?
The InChIKey is OGRIYAXLVULVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O3S/c7-14(12,13)6-3-10(4-9-6)2-1-5(8)11/h3-4H,1-2H2,(H2,8,11).
What are the key properties of 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride?
1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride has a molecular weight of 237.67 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82912245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).