3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one

C8H13N3OS — CID 53381836

IUPAC3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1C[C@@H]1CCCN1
InChIInChI=1S/C8H13N3OS/c12-7-4-10-8(13)11(7)5-6-2-1-3-9-6/h6,9H,1-5H2,(H,10,13)/t6-/m0/s1
InChIKeySNYCBYDYMOFEAJ-LURJTMIESA-N
MW199.28 g/mol
LogP-0.54
Rot. Bonds2

About 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one

3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 53381836) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID53381836
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1C[C@@H]1CCCN1
InChIInChI=1S/C8H13N3OS/c12-7-4-10-8(13)11(7)5-6-2-1-3-9-6/h6,9H,1-5H2,(H,10,13)/t6-/m0/s1
InChIKeySNYCBYDYMOFEAJ-LURJTMIESA-N
XLogP-0.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 117030559
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
CID 62930379
3-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86262251
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 105490958
7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 105494319
1-(pyrrolidin-2-ylmethyl)azepan-4-one
CID 115020782
3-[2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106618012
6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030909
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one (CID 53381836) is 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1C[C@@H]1CCCN1.
What is the InChIKey of 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SNYCBYDYMOFEAJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3OS/c12-7-4-10-8(13)11(7)5-6-2-1-3-9-6/h6,9H,1-5H2,(H,10,13)/t6-/m0/s1.
What are the key properties of 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one?
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 199.28 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 53381836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).