(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine

C17H26N2O3S — CID 949390

IUPAC(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H26N2O3S/c1-14-12-18(13-15(2)22-14)16-8-10-19(11-9-16)23(20,21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyWSDALVGVMYXOLO-GJZGRUSLSA-N
MW338.47 g/mol
LogP1.95
Rot. Bonds3

About (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine

(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 949390) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID949390
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@H]1CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H26N2O3S/c1-14-12-18(13-15(2)22-14)16-8-10-19(11-9-16)23(20,21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyWSDALVGVMYXOLO-GJZGRUSLSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine
CID 1333651
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1190402
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
(2R,6R)-4-[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
CID 51728032
(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
CID 1333989
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 9249167
(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine
CID 131936440
[(3S)-1-[1-(benzenesulfonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552892
1-(benzenesulfonyl)-3-bromo-4-methylpiperidine
CID 102962655
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine (CID 949390) is (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine is C[C@H]1CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is WSDALVGVMYXOLO-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-12-18(13-15(2)22-14)16-8-10-19(11-9-16)23(20,21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine?
(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 338.47 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 949390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).