(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine

C16H19NO3S — CID 704067

IUPAC(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
SMILESC[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)O1
InChIInChI=1S/C16H19NO3S/c1-12-10-17(11-13(2)20-12)21(18,19)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12-13H,10-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyZFDCCSJSPIQLSH-STQMWFEESA-N
MW305.40 g/mol
LogP2.64
Rot. Bonds2

About (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine

(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine (PubChem CID 704067) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
PubChem CID704067
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
SMILESC[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)O1
InChIInChI=1S/C16H19NO3S/c1-12-10-17(11-13(2)20-12)21(18,19)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12-13H,10-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyZFDCCSJSPIQLSH-STQMWFEESA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine
CID 1333651
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
CID 7432384
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 141154020
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
CID 26833180
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine (CID 704067) is (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine is C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine?
The InChIKey is ZFDCCSJSPIQLSH-STQMWFEESA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-10-17(11-13(2)20-12)21(18,19)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12-13H,10-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine?
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine has a molecular weight of 305.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine is sourced from PubChem (CID 704067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).