4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol

C10H19NO2S — CID 170904295

IUPAC4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol
SMILESOC1(CCNC2CSC2)CCOCC1
InChIInChI=1S/C10H19NO2S/c12-10(2-5-13-6-3-10)1-4-11-9-7-14-8-9/h9,11-12H,1-8H2
InChIKeyNWWNKNBUZBNRLA-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.62
Rot. Bonds4

About 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol

4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol (PubChem CID 170904295) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol.

Molecular Properties

Compound Name4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol
PubChem CID170904295
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol
SMILESOC1(CCNC2CSC2)CCOCC1
InChIInChI=1S/C10H19NO2S/c12-10(2-5-13-6-3-10)1-4-11-9-7-14-8-9/h9,11-12H,1-8H2
InChIKeyNWWNKNBUZBNRLA-UHFFFAOYSA-N
XLogP0.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol?
The IUPAC name of 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol (CID 170904295) is 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol.
What is the SMILES notation for 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol?
The canonical SMILES for 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol is OC1(CCNC2CSC2)CCOCC1.
What is the InChIKey of 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol?
The InChIKey is NWWNKNBUZBNRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-10(2-5-13-6-3-10)1-4-11-9-7-14-8-9/h9,11-12H,1-8H2.
What are the key properties of 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol?
4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol has a molecular weight of 217.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol is sourced from PubChem (CID 170904295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).