1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol

C14H23NO2S — CID 62840331

IUPAC1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COC1CCCC1)c1ccsc1
InChIInChI=1S/C14H23NO2S/c1-11(12-6-7-18-10-12)15-8-13(16)9-17-14-4-2-3-5-14/h6-7,10-11,13-16H,2-5,8-9H2,1H3
InChIKeyLPYHYTLDXCDZMR-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.72
Rot. Bonds7

About 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol

1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol (PubChem CID 62840331) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
PubChem CID62840331
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COC1CCCC1)c1ccsc1
InChIInChI=1S/C14H23NO2S/c1-11(12-6-7-18-10-12)15-8-13(16)9-17-14-4-2-3-5-14/h6-7,10-11,13-16H,2-5,8-9H2,1H3
InChIKeyLPYHYTLDXCDZMR-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-cyclohexyloxy-3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435077
1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81409866
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
CID 61469543
1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62839978
1-(4-chlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840500
1-(2,6-dichlorophenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841532
1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185
1-cyclopentyloxy-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291900

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol (CID 62840331) is 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol is CC(NCC(O)COC1CCCC1)c1ccsc1.
What is the InChIKey of 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol?
The InChIKey is LPYHYTLDXCDZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(12-6-7-18-10-12)15-8-13(16)9-17-14-4-2-3-5-14/h6-7,10-11,13-16H,2-5,8-9H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol?
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol is sourced from PubChem (CID 62840331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).