[(3R,4S)-4-hydroxythiolan-3-yl]urea

C5H10N2O2S — CID 763075

IUPAC[(3R,4S)-4-hydroxythiolan-3-yl]urea
SMILESNC(=O)N[C@H]1CSC[C@H]1O
InChIInChI=1S/C5H10N2O2S/c6-5(9)7-3-1-10-2-4(3)8/h3-4,8H,1-2H2,(H3,6,7,9)/t3-,4+/m0/s1
InChIKeyPDTJSUVDOSWVJU-IUYQGCFVSA-N
MW162.21 g/mol
LogP-0.87
Rot. Bonds1

About [(3R,4S)-4-hydroxythiolan-3-yl]urea

[(3R,4S)-4-hydroxythiolan-3-yl]urea (PubChem CID 763075) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is [(3R,4S)-4-hydroxythiolan-3-yl]urea.

Molecular Properties

Compound Name[(3R,4S)-4-hydroxythiolan-3-yl]urea
PubChem CID763075
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name[(3R,4S)-4-hydroxythiolan-3-yl]urea
SMILESNC(=O)N[C@H]1CSC[C@H]1O
InChIInChI=1S/C5H10N2O2S/c6-5(9)7-3-1-10-2-4(3)8/h3-4,8H,1-2H2,(H3,6,7,9)/t3-,4+/m0/s1
InChIKeyPDTJSUVDOSWVJU-IUYQGCFVSA-N
XLogP-0.87
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-hydroxythiolan-3-yl]urea?
The IUPAC name of [(3R,4S)-4-hydroxythiolan-3-yl]urea (CID 763075) is [(3R,4S)-4-hydroxythiolan-3-yl]urea.
What is the SMILES notation for [(3R,4S)-4-hydroxythiolan-3-yl]urea?
The canonical SMILES for [(3R,4S)-4-hydroxythiolan-3-yl]urea is NC(=O)N[C@H]1CSC[C@H]1O.
What is the InChIKey of [(3R,4S)-4-hydroxythiolan-3-yl]urea?
The InChIKey is PDTJSUVDOSWVJU-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H10N2O2S/c6-5(9)7-3-1-10-2-4(3)8/h3-4,8H,1-2H2,(H3,6,7,9)/t3-,4+/m0/s1.
What are the key properties of [(3R,4S)-4-hydroxythiolan-3-yl]urea?
[(3R,4S)-4-hydroxythiolan-3-yl]urea has a molecular weight of 162.21 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-hydroxythiolan-3-yl]urea is sourced from PubChem (CID 763075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).