(2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine

C15H21NO6S2 — CID 52847388

IUPAC(2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)cc1
InChIInChI=1S/C15H21NO6S2/c1-23(17,18)12-5-7-13(8-6-12)24(19,20)16-9-3-2-4-14(16)15-21-10-11-22-15/h5-8,14-15H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyOAGHOMKMPDOSQJ-CQSZACIVSA-N
MW375.47 g/mol
LogP1.01
Rot. Bonds4

About (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine

(2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine (PubChem CID 52847388) has the molecular formula C15H21NO6S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine
PubChem CID52847388
Molecular FormulaC15H21NO6S2
Molecular Weight375.47 g/mol
Exact Mass375.08
IUPAC Name(2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)cc1
InChIInChI=1S/C15H21NO6S2/c1-23(17,18)12-5-7-13(8-6-12)24(19,20)16-9-3-2-4-14(16)15-21-10-11-22-15/h5-8,14-15H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyOAGHOMKMPDOSQJ-CQSZACIVSA-N
XLogP1.01
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1,3-dioxolan-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 52847398
1-(benzenesulfonyl)-2-(1,3-dioxolan-2-yl)piperidine
CID 60620481
(2S)-2-(1,3-dioxolan-2-yl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine
CID 52847363
1-(4-methylsulfonylphenyl)sulfonyl-2-(oxan-4-yl)pyrrolidine
CID 127756095
(2S)-2-(1,3-dioxolan-2-yl)-1-(2-nitrophenyl)sulfonylpiperidine
CID 52847334
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935
(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
1-[4-[[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]phenyl]ethanone
CID 100895817
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidine
CID 31534540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine?
The IUPAC name of (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine (CID 52847388) is (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine.
What is the SMILES notation for (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine?
The canonical SMILES for (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine is CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)cc1.
What is the InChIKey of (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine?
The InChIKey is OAGHOMKMPDOSQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO6S2/c1-23(17,18)12-5-7-13(8-6-12)24(19,20)16-9-3-2-4-14(16)15-21-10-11-22-15/h5-8,14-15H,2-4,9-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine?
(2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine has a molecular weight of 375.47 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxolan-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine is sourced from PubChem (CID 52847388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).