3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide

C6H9N3O2S — CID 5374221

IUPAC3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
SMILESNC(=O)CCC1NC(=S)NC1=O
InChIInChI=1S/C6H9N3O2S/c7-4(10)2-1-3-5(11)9-6(12)8-3/h3H,1-2H2,(H2,7,10)(H2,8,9,11,12)
InChIKeySHHZAHPCRSNCDH-UHFFFAOYSA-N
MW187.22 g/mol
LogP-1.38
Rot. Bonds3

About 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide

3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide (PubChem CID 5374221) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
PubChem CID5374221
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
SMILESNC(=O)CCC1NC(=S)NC1=O
InChIInChI=1S/C6H9N3O2S/c7-4(10)2-1-3-5(11)9-6(12)8-3/h3H,1-2H2,(H2,7,10)(H2,8,9,11,12)
InChIKeySHHZAHPCRSNCDH-UHFFFAOYSA-N
XLogP-1.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-oxoaziridin-2-yl)propanamide
CID 129164942
3-[(2S,5S)-5-(2-amino-2-oxoethyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 102304528
5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one
CID 88519630
(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
CID 131856782
3-(3,5-dioxopyrrolidin-2-yl)propanamide
CID 122595656
10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate
CID 146356521
3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 57400085
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanamide
CID 171116529
methyl 2-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetate
CID 130624280
5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 103090618
3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide
CID 44593841
3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 3034583

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide?
The IUPAC name of 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide (CID 5374221) is 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide.
What is the SMILES notation for 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide?
The canonical SMILES for 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide is NC(=O)CCC1NC(=S)NC1=O.
What is the InChIKey of 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide?
The InChIKey is SHHZAHPCRSNCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-4(10)2-1-3-5(11)9-6(12)8-3/h3H,1-2H2,(H2,7,10)(H2,8,9,11,12).
What are the key properties of 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide?
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide has a molecular weight of 187.22 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide is sourced from PubChem (CID 5374221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).