(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine

C21H28N2O3S — CID 1333651

IUPAC(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine
SMILESC[C@@H]1CN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@@H](C)O1
InChIInChI=1S/C21H28N2O3S/c1-16-14-22(15-17(2)26-16)20-9-11-23(12-10-20)27(24,25)21-8-7-18-5-3-4-6-19(18)13-21/h3-8,13,16-17,20H,9-12,14-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyAJKSWRPZYOXMGP-IAGOWNOFSA-N
MW388.53 g/mol
LogP3.10
Rot. Bonds3

About (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine

(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine (PubChem CID 1333651) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine
PubChem CID1333651
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine
SMILESC[C@@H]1CN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@@H](C)O1
InChIInChI=1S/C21H28N2O3S/c1-16-14-22(15-17(2)26-16)20-9-11-23(12-10-20)27(24,25)21-8-7-18-5-3-4-6-19(18)13-21/h3-8,13,16-17,20H,9-12,14-15H2,1-2H3/t16-,17-/m1/s1
InChIKeyAJKSWRPZYOXMGP-IAGOWNOFSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-4-[1-(benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 949390
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 90566562
3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
CID 70948532
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine (CID 1333651) is (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine is C[C@@H]1CN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine?
The InChIKey is AJKSWRPZYOXMGP-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-16-14-22(15-17(2)26-16)20-9-11-23(12-10-20)27(24,25)21-8-7-18-5-3-4-6-19(18)13-21/h3-8,13,16-17,20H,9-12,14-15H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine?
(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine has a molecular weight of 388.53 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine is sourced from PubChem (CID 1333651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).