1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde

C21H25NO2S — CID 142599058

IUPAC1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Sc1ccc2cc(OC3CCCC3)ccc2c1
InChIInChI=1S/C21H25NO2S/c23-15-18-5-3-4-12-22(18)25-21-11-9-16-13-20(10-8-17(16)14-21)24-19-6-1-2-7-19/h8-11,13-15,18-19H,1-7,12H2
InChIKeyOPWXKMNZOULIJU-UHFFFAOYSA-N
MW355.50 g/mol
LogP5.22
Rot. Bonds5

About 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde

1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde (PubChem CID 142599058) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde
PubChem CID142599058
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Sc1ccc2cc(OC3CCCC3)ccc2c1
InChIInChI=1S/C21H25NO2S/c23-15-18-5-3-4-12-22(18)25-21-11-9-16-13-20(10-8-17(16)14-21)24-19-6-1-2-7-19/h8-11,13-15,18-19H,1-7,12H2
InChIKeyOPWXKMNZOULIJU-UHFFFAOYSA-N
XLogP5.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyloxy-6-hydroxysulfanylnaphthalene
CID 135175413
1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperazine
CID 142599229
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
7-cyclopentyloxy-2-oxo-1H-quinoline-3-carbaldehyde
CID 143687945
4-cyclopentyloxybenzaldehyde
CID 3152724
6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde
CID 91664543
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
5-cyclopentyloxy-1-ethylindole
CID 57315298
(6-cyclobutyloxynaphthalen-2-yl)boronic acid
CID 140913385
6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
CID 118243893
3-[4-(4-chlorophenyl)phenyl]-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfanylamino]-3,3-difluoro-1-piperazin-1-ylpropan-1-one
CID 142387623
(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196242

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde?
The IUPAC name of 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde (CID 142599058) is 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde.
What is the SMILES notation for 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde?
The canonical SMILES for 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde is O=CC1CCCCN1Sc1ccc2cc(OC3CCCC3)ccc2c1.
What is the InChIKey of 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde?
The InChIKey is OPWXKMNZOULIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c23-15-18-5-3-4-12-22(18)25-21-11-9-16-13-20(10-8-17(16)14-21)24-19-6-1-2-7-19/h8-11,13-15,18-19H,1-7,12H2.
What are the key properties of 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde?
1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde has a molecular weight of 355.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopentyloxynaphthalen-2-yl)sulfanylpiperidine-2-carbaldehyde is sourced from PubChem (CID 142599058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).