N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide

C10H15N3O3S — CID 110467315

IUPACN-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide
SMILESCN(C(=O)c1nccn1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O3S/c1-12-5-4-11-9(12)10(14)13(2)8-3-6-17(15,16)7-8/h4-5,8H,3,6-7H2,1-2H3
InChIKeyDBGFNOQRPCGCLE-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.32
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide (PubChem CID 110467315) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide
PubChem CID110467315
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide
SMILESCN(C(=O)c1nccn1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O3S/c1-12-5-4-11-9(12)10(14)13(2)8-3-6-17(15,16)7-8/h4-5,8H,3,6-7H2,1-2H3
InChIKeyDBGFNOQRPCGCLE-UHFFFAOYSA-N
XLogP-0.32
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 37292231
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethylpyrazole-3-carboxamide
CID 110685859
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
N-(1,1-dioxothiolan-3-yl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380416
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 164638759
4-N-tert-butyl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109088408
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249417
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 38832867

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide (CID 110467315) is N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide is CN(C(=O)c1nccn1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide?
The InChIKey is DBGFNOQRPCGCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12-5-4-11-9(12)10(14)13(2)8-3-6-17(15,16)7-8/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 110467315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).