(5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione

C10H18N2O6S — CID 52948505

IUPAC(5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione
SMILESCO[C@H]1CNC(=S)N1[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18N2O6S/c1-17-5-2-11-10(19)12(5)9-7(16)6(15)8(18-9)4(14)3-13/h4-9,13-16H,2-3H2,1H3,(H,11,19)/t4-,5+,6-,7-,8+,9-/m1/s1
InChIKeyJROYFDJBTBTXQV-ZYWBIDCJSA-N
MW294.33 g/mol
LogP-3.05
Rot. Bonds4

About (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione

(5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione (PubChem CID 52948505) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione
PubChem CID52948505
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name(5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione
SMILESCO[C@H]1CNC(=S)N1[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18N2O6S/c1-17-5-2-11-10(19)12(5)9-7(16)6(15)8(18-9)4(14)3-13/h4-9,13-16H,2-3H2,1H3,(H,11,19)/t4-,5+,6-,7-,8+,9-/m1/s1
InChIKeyJROYFDJBTBTXQV-ZYWBIDCJSA-N
XLogP-3.05
TPSA114.65 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-3.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione?
The IUPAC name of (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione (CID 52948505) is (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione.
What is the SMILES notation for (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione?
The canonical SMILES for (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione is CO[C@H]1CNC(=S)N1[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione?
The InChIKey is JROYFDJBTBTXQV-ZYWBIDCJSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-17-5-2-11-10(19)12(5)9-7(16)6(15)8(18-9)4(14)3-13/h4-9,13-16H,2-3H2,1H3,(H,11,19)/t4-,5+,6-,7-,8+,9-/m1/s1.
What are the key properties of (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione?
(5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione has a molecular weight of 294.33 g/mol, XLogP of -3.05, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxyimidazolidine-2-thione is sourced from PubChem (CID 52948505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).