1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H23NO3S — CID 55014565

IUPAC1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNCC1CCCCO1)COCc1cccs1
InChIInChI=1S/C14H23NO3S/c16-12(10-17-11-14-5-3-7-19-14)8-15-9-13-4-1-2-6-18-13/h3,5,7,12-13,15-16H,1-2,4,6,8-11H2
InChIKeyYNJIYDKJJXHXCL-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.78
Rot. Bonds8

About 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 55014565) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID55014565
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNCC1CCCCO1)COCc1cccs1
InChIInChI=1S/C14H23NO3S/c16-12(10-17-11-14-5-3-7-19-14)8-15-9-13-4-1-2-6-18-13/h3,5,7,12-13,15-16H,1-2,4,6,8-11H2
InChIKeyYNJIYDKJJXHXCL-UHFFFAOYSA-N
XLogP1.78
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162
(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2101327
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
1-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65123112
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-[(4,5-dimethylthiophen-2-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 65243670
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61207416
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
1-(morpholin-4-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 83021271
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-[2-(cyclohexen-1-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634710
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 62840998

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 55014565) is 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(CNCC1CCCCO1)COCc1cccs1.
What is the InChIKey of 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is YNJIYDKJJXHXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c16-12(10-17-11-14-5-3-7-19-14)8-15-9-13-4-1-2-6-18-13/h3,5,7,12-13,15-16H,1-2,4,6,8-11H2.
What are the key properties of 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 55014565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).