3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide

C13H19N3O3S — CID 6498839

IUPAC3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
SMILESCC1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19N3O3S/c1-11-15(13(17)14(2)3)9-10-16(11)20(18,19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyWQGBUOZQOBJKMW-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.02
Rot. Bonds2

About 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide

3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide (PubChem CID 6498839) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
PubChem CID6498839
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
SMILESCC1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19N3O3S/c1-11-15(13(17)14(2)3)9-10-16(11)20(18,19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyWQGBUOZQOBJKMW-UHFFFAOYSA-N
XLogP1.02
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide (CID 6498839) is 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide is CC1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide?
The InChIKey is WQGBUOZQOBJKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-11-15(13(17)14(2)3)9-10-16(11)20(18,19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide?
3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide is sourced from PubChem (CID 6498839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).