1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H21NO3S — CID 80721044

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNC1CC2CCC1O2)COCc1cccs1
InChIInChI=1S/C14H21NO3S/c16-10(8-17-9-12-2-1-5-19-12)7-15-13-6-11-3-4-14(13)18-11/h1-2,5,10-11,13-16H,3-4,6-9H2
InChIKeyKCORACZPHRZVFM-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.54
Rot. Bonds7

About 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 80721044) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID80721044
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNC1CC2CCC1O2)COCc1cccs1
InChIInChI=1S/C14H21NO3S/c16-10(8-17-9-12-2-1-5-19-12)7-15-13-6-11-3-4-14(13)18-11/h1-2,5,10-11,13-16H,3-4,6-9H2
InChIKeyKCORACZPHRZVFM-UHFFFAOYSA-N
XLogP1.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 62840998
1-(2,6-dimethylphenoxy)-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
CID 80714789
1-octoxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
CID 80716044
4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162
(2R)-1-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98285003
1-(morpholin-4-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 83021271
1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55014565
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 80721044) is 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(CNC1CC2CCC1O2)COCc1cccs1.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is KCORACZPHRZVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c16-10(8-17-9-12-2-1-5-19-12)7-15-13-6-11-3-4-14(13)18-11/h1-2,5,10-11,13-16H,3-4,6-9H2.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 80721044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).