1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine

C16H23NO4S — CID 56501348

IUPAC1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(CCN1CCCCC1C1OCCO1)c1ccccc1
InChIInChI=1S/C16H23NO4S/c18-22(19,14-6-2-1-3-7-14)13-10-17-9-5-4-8-15(17)16-20-11-12-21-16/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyFSJVRSKEANTFSX-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.69
Rot. Bonds5

About 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine

1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine (PubChem CID 56501348) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine
PubChem CID56501348
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(CCN1CCCCC1C1OCCO1)c1ccccc1
InChIInChI=1S/C16H23NO4S/c18-22(19,14-6-2-1-3-7-14)13-10-17-9-5-4-8-15(17)16-20-11-12-21-16/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyFSJVRSKEANTFSX-UHFFFAOYSA-N
XLogP1.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-3-morpholin-4-yl-4-(phenylsulfonyl)thiolane-1,1-dione
CID 20897737
3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-YL)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 20897774
(3S4R)-3-{14-Dioxa-8-azaspiro[4.5]decan-8-YL}-4-(4-fluorobenzenesulfonyl)-1lambda6-thiolane-11-dione
CID 20897901
2-(3,4-Difluorophenyl)sulfanyl-1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
CID 53565272
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
CID 52847247
(2S)-1-(2,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
CID 52847248
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
CID 52847265
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
CID 52847266
(2R)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
CID 52847337
(2S)-1-(2,4-difluorophenyl)sulfonyl-2-(1,3-dioxolan-2-yl)piperidine
CID 52847338
(2R)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 52847339
(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 52847340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine (CID 56501348) is 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine is O=S(=O)(CCN1CCCCC1C1OCCO1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is FSJVRSKEANTFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c18-22(19,14-6-2-1-3-7-14)13-10-17-9-5-4-8-15(17)16-20-11-12-21-16/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine?
1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 325.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 56501348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).