N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide

C10H15N3O3S — CID 110684094

IUPACN-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1cnc[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O3S/c1-13(9-2-3-17(15,16)6-9)10(14)4-8-5-11-7-12-8/h5,7,9H,2-4,6H2,1H3,(H,11,12)
InChIKeyDFKITOMSMAXSGN-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.40
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide

N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide (PubChem CID 110684094) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide
PubChem CID110684094
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1cnc[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O3S/c1-13(9-2-3-17(15,16)6-9)10(14)4-8-5-11-7-12-8/h5,7,9H,2-4,6H2,1H3,(H,11,12)
InChIKeyDFKITOMSMAXSGN-UHFFFAOYSA-N
XLogP-0.40
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690829
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-(3H-benzimidazol-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110772403
2-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238248
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 41156062
3-(3,5-dioxopyrazolidin-4-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110703679
2-[4-[acetyl(methyl)amino]phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110674873
2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152365
2-(2-chloro-4-methoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110769973
2-(5-chloro-2-methoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110767252

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide (CID 110684094) is N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide is CN(C(=O)Cc1cnc[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide?
The InChIKey is DFKITOMSMAXSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-13(9-2-3-17(15,16)6-9)10(14)4-8-5-11-7-12-8/h5,7,9H,2-4,6H2,1H3,(H,11,12).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide has a molecular weight of 257.31 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(1H-imidazol-5-yl)-N-methylacetamide is sourced from PubChem (CID 110684094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).