3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide

C6H9N3O2S — CID 56950306

IUPAC3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide
SMILESNC(=O)CC[C@@H]1NC(=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)/t3-/m0/s1
InChIKeySHHZAHPCRSNCDH-VKHMYHEASA-N
MW187.22 g/mol
LogP-1.38
Rot. Bonds3

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

3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide (PubChem CID 56950306) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide
PubChem CID56950306
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide
SMILESNC(=O)CC[C@@H]1NC(=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)/t3-/m0/s1
InChIKeySHHZAHPCRSNCDH-VKHMYHEASA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide?
The IUPAC name of 3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide (CID 56950306) is 3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide.
What is the SMILES notation for 3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide?
The canonical SMILES for 3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide is NC(=O)CC[C@@H]1NC(=S)NC1=O.
What is the InChIKey of 3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide?
The InChIKey is SHHZAHPCRSNCDH-VKHMYHEASA-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)/t3-/m0/s1.
What are the key properties of 3-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide?
3-[(4S)-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-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanamide is sourced from PubChem (CID 56950306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).