[(2S)-3-phenoxy-2-sulfanylpropyl]urea

C10H14N2O2S — CID 1275345

IUPAC[(2S)-3-phenoxy-2-sulfanylpropyl]urea
SMILESNC(=O)NC[C@H](S)COc1ccccc1
InChIInChI=1S/C10H14N2O2S/c11-10(13)12-6-9(15)7-14-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2,(H3,11,12,13)/t9-/m0/s1
InChIKeyFEJAOJFKKOGFCH-VIFPVBQESA-N
MW226.30 g/mol
LogP1.03
Rot. Bonds5

About [(2S)-3-phenoxy-2-sulfanylpropyl]urea

[(2S)-3-phenoxy-2-sulfanylpropyl]urea (PubChem CID 1275345) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is [(2S)-3-phenoxy-2-sulfanylpropyl]urea.

Molecular Properties

Compound Name[(2S)-3-phenoxy-2-sulfanylpropyl]urea
PubChem CID1275345
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name[(2S)-3-phenoxy-2-sulfanylpropyl]urea
SMILESNC(=O)NC[C@H](S)COc1ccccc1
InChIInChI=1S/C10H14N2O2S/c11-10(13)12-6-9(15)7-14-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2,(H3,11,12,13)/t9-/m0/s1
InChIKeyFEJAOJFKKOGFCH-VIFPVBQESA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(2S)-3-phenoxy-2-sulfanylpropyl]urea 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 [(2S)-3-phenoxy-2-sulfanylpropyl]urea?
The IUPAC name of [(2S)-3-phenoxy-2-sulfanylpropyl]urea (CID 1275345) is [(2S)-3-phenoxy-2-sulfanylpropyl]urea.
What is the SMILES notation for [(2S)-3-phenoxy-2-sulfanylpropyl]urea?
The canonical SMILES for [(2S)-3-phenoxy-2-sulfanylpropyl]urea is NC(=O)NC[C@H](S)COc1ccccc1.
What is the InChIKey of [(2S)-3-phenoxy-2-sulfanylpropyl]urea?
The InChIKey is FEJAOJFKKOGFCH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-10(13)12-6-9(15)7-14-8-4-2-1-3-5-8/h1-5,9,15H,6-7H2,(H3,11,12,13)/t9-/m0/s1.
What are the key properties of [(2S)-3-phenoxy-2-sulfanylpropyl]urea?
[(2S)-3-phenoxy-2-sulfanylpropyl]urea has a molecular weight of 226.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-phenoxy-2-sulfanylpropyl]urea is sourced from PubChem (CID 1275345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).