N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide

C9H15N3O2S — CID 167908635

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C9H15N3O2S/c1-4-15(13,14)11-5-6-12-7-10-8(2)9(12)3/h4,7,11H,1,5-6H2,2-3H3
InChIKeyMBWVXNMWQWFRPF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.56
Rot. Bonds5

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide (PubChem CID 167908635) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide
PubChem CID167908635
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C9H15N3O2S/c1-4-15(13,14)11-5-6-12-7-10-8(2)9(12)3/h4,7,11H,1,5-6H2,2-3H3
InChIKeyMBWVXNMWQWFRPF-UHFFFAOYSA-N
XLogP0.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide (CID 167908635) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide is C=CS(=O)(=O)NCCn1cnc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide?
The InChIKey is MBWVXNMWQWFRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-15(13,14)11-5-6-12-7-10-8(2)9(12)3/h4,7,11H,1,5-6H2,2-3H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]ethenesulfonamide is sourced from PubChem (CID 167908635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).