[1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol

C15H23NO4S — CID 136572196

IUPAC[1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol
SMILESO=S1(=O)CCC(CO)N1CCCOCCc1ccccc1
InChIInChI=1S/C15H23NO4S/c17-13-15-8-12-21(18,19)16(15)9-4-10-20-11-7-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2
InChIKeyYDHODDDWOGLPEM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.03
Rot. Bonds8

About [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol

[1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol (PubChem CID 136572196) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol.

Molecular Properties

Compound Name[1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol
PubChem CID136572196
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol
SMILESO=S1(=O)CCC(CO)N1CCCOCCc1ccccc1
InChIInChI=1S/C15H23NO4S/c17-13-15-8-12-21(18,19)16(15)9-4-10-20-11-7-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2
InChIKeyYDHODDDWOGLPEM-UHFFFAOYSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol?
The IUPAC name of [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol (CID 136572196) is [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol.
What is the SMILES notation for [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol?
The canonical SMILES for [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol is O=S1(=O)CCC(CO)N1CCCOCCc1ccccc1.
What is the InChIKey of [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol?
The InChIKey is YDHODDDWOGLPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c17-13-15-8-12-21(18,19)16(15)9-4-10-20-11-7-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2.
What are the key properties of [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol?
[1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol has a molecular weight of 313.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-2-[3-(2-phenylethoxy)propyl]-1,2-thiazolidin-3-yl]methanol is sourced from PubChem (CID 136572196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).