1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride

C8H10ClN3O3S — CID 82912678

IUPAC1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride
SMILESC=CCNC(=O)Cn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H10ClN3O3S/c1-2-3-10-7(13)4-12-5-8(11-6-12)16(9,14)15/h2,5-6H,1,3-4H2,(H,10,13)
InChIKeyPWPOUXHLWUXVPY-UHFFFAOYSA-N
MW263.71 g/mol
LogP0.11
Rot. Bonds5

About 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride

1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride (PubChem CID 82912678) has the molecular formula C8H10ClN3O3S and a molecular weight of 263.71 g/mol. Its IUPAC name is 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride
PubChem CID82912678
Molecular FormulaC8H10ClN3O3S
Molecular Weight263.71 g/mol
Exact Mass263.01
IUPAC Name1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride
SMILESC=CCNC(=O)Cn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H10ClN3O3S/c1-2-3-10-7(13)4-12-5-8(11-6-12)16(9,14)15/h2,5-6H,1,3-4H2,(H,10,13)
InChIKeyPWPOUXHLWUXVPY-UHFFFAOYSA-N
XLogP0.11
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride (CID 82912678) is 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride is C=CCNC(=O)Cn1cnc(S(=O)(=O)Cl)c1.
What is the InChIKey of 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride?
The InChIKey is PWPOUXHLWUXVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3S/c1-2-3-10-7(13)4-12-5-8(11-6-12)16(9,14)15/h2,5-6H,1,3-4H2,(H,10,13).
What are the key properties of 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride?
1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride has a molecular weight of 263.71 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(prop-2-enylamino)ethyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82912678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).