1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol

C10H21NO2S — CID 107166431

IUPAC1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
SMILESCCOCC(O)CNCC1CCSC1
InChIInChI=1S/C10H21NO2S/c1-2-13-7-10(12)6-11-5-9-3-4-14-8-9/h9-12H,2-8H2,1H3
InChIKeyBXQUPYMGFGDKKX-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.73
Rot. Bonds7

About 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol

1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol (PubChem CID 107166431) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
PubChem CID107166431
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
SMILESCCOCC(O)CNCC1CCSC1
InChIInChI=1S/C10H21NO2S/c1-2-13-7-10(12)6-11-5-9-3-4-14-8-9/h9-12H,2-8H2,1H3
InChIKeyBXQUPYMGFGDKKX-UHFFFAOYSA-N
XLogP0.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
CID 63931930
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705
1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295767
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(4-fluorophenoxy)-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166000
4-[2-hydroxy-3-(thiolan-3-ylmethylamino)propoxy]benzonitrile
CID 107295726
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107295831
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279
1-morpholin-4-yl-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295723

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol (CID 107166431) is 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol is CCOCC(O)CNCC1CCSC1.
What is the InChIKey of 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol?
The InChIKey is BXQUPYMGFGDKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-13-7-10(12)6-11-5-9-3-4-14-8-9/h9-12H,2-8H2,1H3.
What are the key properties of 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol?
1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol has a molecular weight of 219.35 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 107166431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).