(5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one

C6H10N2O2S — CID 932985

IUPAC(5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@H](O)[C@H]1NC(=S)N(C)C1=O
InChIInChI=1S/C6H10N2O2S/c1-3(9)4-5(10)8(2)6(11)7-4/h3-4,9H,1-2H3,(H,7,11)/t3-,4+/m0/s1
InChIKeyNPKGNZLCSOITLN-IUYQGCFVSA-N
MW174.22 g/mol
LogP-0.92
Rot. Bonds1

About (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one

(5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 932985) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID932985
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name(5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@H](O)[C@H]1NC(=S)N(C)C1=O
InChIInChI=1S/C6H10N2O2S/c1-3(9)4-5(10)8(2)6(11)7-4/h3-4,9H,1-2H3,(H,7,11)/t3-,4+/m0/s1
InChIKeyNPKGNZLCSOITLN-IUYQGCFVSA-N
XLogP-0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.92
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

(5S)-5-[(1R)-1-hydroxyethyl]-3-methylimidazolidine-2,4-dione
CID 59157656
5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 57377498
3-benzyl-5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one
CID 3619280
(4R)-1-methyl-5-oxo-2-sulfanylideneimidazolidine-4-carboxylic acid
CID 42586318
3-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid
CID 3487246
(4aS,8aS)-3-methyl-2-sulfanylidene-4a,8a-dihydro-1H-quinazolin-4-one
CID 7859195
3-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoate
CID 4149053
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
(3R,6S)-3-[(1S)-1-hydroxyethyl]-6-methylpiperazine-2,5-dione
CID 129321124
5-propan-2-yl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 3028854
6-tert-butyl-4-methyl-3-sulfanylidene-1,2,4-triazinan-5-one
CID 13377186
(5S)-5-[(2R)-butan-2-yl]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 801254

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 932985) is (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one is C[C@H](O)[C@H]1NC(=S)N(C)C1=O.
What is the InChIKey of (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NPKGNZLCSOITLN-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3(9)4-5(10)8(2)6(11)7-4/h3-4,9H,1-2H3,(H,7,11)/t3-,4+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one?
(5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 174.22 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-hydroxyethyl]-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 932985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).