[3-(2-methoxyethylamino)thiolan-3-yl]methanol

C8H17NO2S — CID 62543490

IUPAC[3-(2-methoxyethylamino)thiolan-3-yl]methanol
SMILESCOCCNC1(CO)CCSC1
InChIInChI=1S/C8H17NO2S/c1-11-4-3-9-8(6-10)2-5-12-7-8/h9-10H,2-7H2,1H3
InChIKeyWJWHRYDDEBURQY-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.09
Rot. Bonds5

About [3-(2-methoxyethylamino)thiolan-3-yl]methanol

[3-(2-methoxyethylamino)thiolan-3-yl]methanol (PubChem CID 62543490) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is [3-(2-methoxyethylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-methoxyethylamino)thiolan-3-yl]methanol
PubChem CID62543490
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name[3-(2-methoxyethylamino)thiolan-3-yl]methanol
SMILESCOCCNC1(CO)CCSC1
InChIInChI=1S/C8H17NO2S/c1-11-4-3-9-8(6-10)2-5-12-7-8/h9-10H,2-7H2,1H3
InChIKeyWJWHRYDDEBURQY-UHFFFAOYSA-N
XLogP0.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
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 [3-(2-methoxyethylamino)thiolan-3-yl]methanol?
The IUPAC name of [3-(2-methoxyethylamino)thiolan-3-yl]methanol (CID 62543490) is [3-(2-methoxyethylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [3-(2-methoxyethylamino)thiolan-3-yl]methanol?
The canonical SMILES for [3-(2-methoxyethylamino)thiolan-3-yl]methanol is COCCNC1(CO)CCSC1.
What is the InChIKey of [3-(2-methoxyethylamino)thiolan-3-yl]methanol?
The InChIKey is WJWHRYDDEBURQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-11-4-3-9-8(6-10)2-5-12-7-8/h9-10H,2-7H2,1H3.
What are the key properties of [3-(2-methoxyethylamino)thiolan-3-yl]methanol?
[3-(2-methoxyethylamino)thiolan-3-yl]methanol has a molecular weight of 191.30 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 62543490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).