1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol

C15H23NO2S — CID 107644598

IUPAC1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
SMILESCSc1ccccc1NCC(O)COC1CCCC1
InChIInChI=1S/C15H23NO2S/c1-19-15-9-5-4-8-14(15)16-10-12(17)11-18-13-6-2-3-7-13/h4-5,8-9,12-13,16-17H,2-3,6-7,10-11H2,1H3
InChIKeyHFQGFVHYLSUSCP-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.14
Rot. Bonds7

About 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol

1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol (PubChem CID 107644598) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
PubChem CID107644598
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
SMILESCSc1ccccc1NCC(O)COC1CCCC1
InChIInChI=1S/C15H23NO2S/c1-19-15-9-5-4-8-14(15)16-10-12(17)11-18-13-6-2-3-7-13/h4-5,8-9,12-13,16-17H,2-3,6-7,10-11H2,1H3
InChIKeyHFQGFVHYLSUSCP-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60896826
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CID 60898837
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60899171
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-cyclopentyloxy-3-(1-phenylpropylamino)propan-2-ol
CID 62306417
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644664

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol (CID 107644598) is 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol is CSc1ccccc1NCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol?
The InChIKey is HFQGFVHYLSUSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-19-15-9-5-4-8-14(15)16-10-12(17)11-18-13-6-2-3-7-13/h4-5,8-9,12-13,16-17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol?
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol has a molecular weight of 281.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol is sourced from PubChem (CID 107644598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).