ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide

C14H23N3OS — CID 143768759

IUPACethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCC.CC.NC(=O)N1CCN(c2ccccc2)C1=S
InChIInChI=1S/C10H11N3OS.2C2H6/c11-9(14)13-7-6-12(10(13)15)8-4-2-1-3-5-8;2*1-2/h1-5H,6-7H2,(H2,11,14);2*1-2H3
InChIKeyLYJODYKUKYZBDD-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.22
Rot. Bonds1

About ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide

ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide (PubChem CID 143768759) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide.

Molecular Properties

Compound Nameethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
PubChem CID143768759
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Nameethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCC.CC.NC(=O)N1CCN(c2ccccc2)C1=S
InChIInChI=1S/C10H11N3OS.2C2H6/c11-9(14)13-7-6-12(10(13)15)8-4-2-1-3-5-8;2*1-2/h1-5H,6-7H2,(H2,11,14);2*1-2H3
InChIKeyLYJODYKUKYZBDD-UHFFFAOYSA-N
XLogP3.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(3-phenyl-2-sulfanylideneimidazolidin-1-yl)propanamide
CID 15031687
1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one
CID 59647537
N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide
CID 89467864
1-(3,3-dimethylbutanethioyl)-3-phenylimidazolidin-2-one
CID 58474581
1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
carbamic acid;1-phenylpiperidine
CID 161473217
1-phenyl-2,3-dihydropyridine-6-thione
CID 101486560
ethyl (3S)-3-fluoro-2-oxo-1-phenylpyrrolidine-3-carboxylate
CID 86700962
[3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 166314877
2-(6-amino-5,7-dioxo-4-phenyl-1,4-diazepan-1-yl)-3-methyl-2-phenylbutanamide
CID 70272698
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363

Frequently Asked Questions

What is the IUPAC name of ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide?
The IUPAC name of ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide (CID 143768759) is ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide.
What is the SMILES notation for ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide?
The canonical SMILES for ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide is CC.CC.NC(=O)N1CCN(c2ccccc2)C1=S.
What is the InChIKey of ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide?
The InChIKey is LYJODYKUKYZBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS.2C2H6/c11-9(14)13-7-6-12(10(13)15)8-4-2-1-3-5-8;2*1-2/h1-5H,6-7H2,(H2,11,14);2*1-2H3.
What are the key properties of ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide?
ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide has a molecular weight of 281.43 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide is sourced from PubChem (CID 143768759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).