1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine

C14H19NO4S — CID 60620481

IUPAC1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCCC1C1OCCO1
InChIInChI=1S/C14H19NO4S/c16-20(17,12-6-2-1-3-7-12)15-9-5-4-8-13(15)14-18-10-11-19-14/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyLCQYMSUANUWGGO-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.60
Rot. Bonds3

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

1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine (PubChem CID 60620481) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine
PubChem CID60620481
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCCC1C1OCCO1
InChIInChI=1S/C14H19NO4S/c16-20(17,12-6-2-1-3-7-12)15-9-5-4-8-13(15)14-18-10-11-19-14/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyLCQYMSUANUWGGO-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine
CID 52847388
(2R)-2-(1,3-dioxolan-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 52847398
(2S)-2-(1,3-dioxolan-2-yl)-1-(2-nitrophenyl)sulfonylpiperidine
CID 52847334
(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine
CID 52847363
1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 54592723
(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
CID 95241513
2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79535712
1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine
CID 56501348
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
CID 60978954
1-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 555825
(4aS,8aS)-1-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 6923245

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine (CID 60620481) is 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine is O=S(=O)(c1ccccc1)N1CCCCC1C1OCCO1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is LCQYMSUANUWGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-20(17,12-6-2-1-3-7-12)15-9-5-4-8-13(15)14-18-10-11-19-14/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine?
1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 297.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 60620481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).