(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine

C13H19ClN2O3S — CID 166928268

IUPAC(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
SMILESCc1c(CS(C)(=O)=O)cc(N2CCOC[C@H]2C)nc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-9-7-19-5-4-16(9)12-6-11(8-20(3,17)18)10(2)13(14)15-12/h6,9H,4-5,7-8H2,1-3H3/t9-/m1/s1
InChIKeyRPIRXMCKGCMCHZ-SECBINFHSA-N
MW318.83 g/mol
LogP1.81
Rot. Bonds3

About (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine

(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine (PubChem CID 166928268) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
PubChem CID166928268
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
SMILESCc1c(CS(C)(=O)=O)cc(N2CCOC[C@H]2C)nc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-9-7-19-5-4-16(9)12-6-11(8-20(3,17)18)10(2)13(14)15-12/h6,9H,4-5,7-8H2,1-3H3/t9-/m1/s1
InChIKeyRPIRXMCKGCMCHZ-SECBINFHSA-N
XLogP1.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
CID 175431914
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine
CID 68506449
N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine
CID 166928271
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
CID 167996467
CID 167996467
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953
(3S)-4-[2-chloro-6-(prop-1-en-2-ylsulfonylmethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 89053604
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
N-[[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methyl-methyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
CID 138966363
(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
CID 169304957

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine (CID 166928268) is (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine is Cc1c(CS(C)(=O)=O)cc(N2CCOC[C@H]2C)nc1Cl.
What is the InChIKey of (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine?
The InChIKey is RPIRXMCKGCMCHZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9-7-19-5-4-16(9)12-6-11(8-20(3,17)18)10(2)13(14)15-12/h6,9H,4-5,7-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine?
(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine has a molecular weight of 318.83 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 166928268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).