(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine

C16H23ClN2O4S — CID 166927953

IUPAC(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)cc(Cl)n1
InChIInChI=1S/C16H23ClN2O4S/c1-12-11-23-8-5-19(12)15-10-13(9-14(17)18-15)16(24(2,20)21)3-6-22-7-4-16/h9-10,12H,3-8,11H2,1-2H3/t12-/m1/s1
InChIKeyWLJWQJGZEILYHN-GFCCVEGCSA-N
MW374.89 g/mol
LogP2.01
Rot. Bonds3

About (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine

(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine (PubChem CID 166927953) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
PubChem CID166927953
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)cc(Cl)n1
InChIInChI=1S/C16H23ClN2O4S/c1-12-11-23-8-5-19(12)15-10-13(9-14(17)18-15)16(24(2,20)21)3-6-22-7-4-16/h9-10,12H,3-8,11H2,1-2H3/t12-/m1/s1
InChIKeyWLJWQJGZEILYHN-GFCCVEGCSA-N
XLogP2.01
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928055
(3S)-4-[6-bromo-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-ethylmorpholine
CID 138688370
CID 167996467
CID 167996467
sodium;6-[(3S)-3-ethylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)pyridine-2-sulfinic acid;hydride
CID 175050986
2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine
CID 138688223
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756222
imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
CID 171463158
N-methyl-1-[5-[6-[(3S)-3-methylmorpholin-4-yl]-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]methanamine
CID 142605112
N-[[4-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxan-4-yl]-methylidene-oxo-λ6-sulfanyl]-2,2,2-trifluoroacetamide
CID 123461629
(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
CID 166928268
4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
CID 175431914

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine (CID 166927953) is (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCOCC2)cc(Cl)n1.
What is the InChIKey of (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine?
The InChIKey is WLJWQJGZEILYHN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-12-11-23-8-5-19(12)15-10-13(9-14(17)18-15)16(24(2,20)21)3-6-22-7-4-16/h9-10,12H,3-8,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine?
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine has a molecular weight of 374.89 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 166927953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).