2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde

C18H24ClNO3S — CID 58584523

IUPAC2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde
SMILESCC[C@H]1CCC[C@@H](C2(CC=O)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNO3S/c1-2-15-4-3-5-17(18(10-11-18)12-13-21)20(15)24(22,23)16-8-6-14(19)7-9-16/h6-9,13,15,17H,2-5,10-12H2,1H3/t15-,17-/m0/s1
InChIKeyWPXROHPQJKEZPG-RDJZCZTQSA-N
MW369.91 g/mol
LogP4.03
Rot. Bonds6

About 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde

2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde (PubChem CID 58584523) has the molecular formula C18H24ClNO3S and a molecular weight of 369.91 g/mol. Its IUPAC name is 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde.

Molecular Properties

Compound Name2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde
PubChem CID58584523
Molecular FormulaC18H24ClNO3S
Molecular Weight369.91 g/mol
Exact Mass369.12
IUPAC Name2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde
SMILESCC[C@H]1CCC[C@@H](C2(CC=O)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClNO3S/c1-2-15-4-3-5-17(18(10-11-18)12-13-21)20(15)24(22,23)16-8-6-14(19)7-9-16/h6-9,13,15,17H,2-5,10-12H2,1H3/t15-,17-/m0/s1
InChIKeyWPXROHPQJKEZPG-RDJZCZTQSA-N
XLogP4.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.91
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetonitrile
CID 58584556
2-[1-[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]-1-(4-hydroxy-4-propylpiperidin-1-yl)ethanone
CID 11649179
[1-[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl] 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58932380
2-[1-[(2R,6R)-1-(4-chlorophenyl)sulfonothioyl-6-ethylpiperidin-2-yl]cyclopropyl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 70331533
methyl 2-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]prop-2-enoate
CID 58584473
1-(4-chlorophenyl)sulfonyl-2-(3,5-difluorocyclohexa-1,5-dien-1-yl)-6-(1-ethylcyclopropyl)piperidine
CID 163787302
(2S,6R)-1-(4-chlorophenyl)sulfonyl-2,6-diethylpiperidin-4-one
CID 59342378
[1-[(2R,6R)-6-ethyl-1-(4-methylphenyl)sulfonylpiperidin-2-yl]cyclopropyl] 4-methyl-4-piperidin-1-ylpiperidine-1-carboxylate
CID 143020445
2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 11663646
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl]ethanone
CID 11540894
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde?
The IUPAC name of 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde (CID 58584523) is 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde.
What is the SMILES notation for 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde?
The canonical SMILES for 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde is CC[C@H]1CCC[C@@H](C2(CC=O)CC2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde?
The InChIKey is WPXROHPQJKEZPG-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H24ClNO3S/c1-2-15-4-3-5-17(18(10-11-18)12-13-21)20(15)24(22,23)16-8-6-14(19)7-9-16/h6-9,13,15,17H,2-5,10-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde?
2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde has a molecular weight of 369.91 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]acetaldehyde is sourced from PubChem (CID 58584523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).