N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide

C10H17N3O3S — CID 91901995

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCCN(C(=O)C1=NCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O3S/c1-2-13(8-3-6-17(15,16)7-8)10(14)9-11-4-5-12-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyKOVNDQUJYOSBSP-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.98
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 91901995) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID91901995
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCCN(C(=O)C1=NCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N3O3S/c1-2-13(8-3-6-17(15,16)7-8)10(14)9-11-4-5-12-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyKOVNDQUJYOSBSP-UHFFFAOYSA-N
XLogP-0.98
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110761487
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CID 110682084
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 60939133
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694235
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 110299246
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide
CID 70746777
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63859215
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide (CID 91901995) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide is CCN(C(=O)C1=NCCN1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is KOVNDQUJYOSBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-13(8-3-6-17(15,16)7-8)10(14)9-11-4-5-12-9/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91901995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).