4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine

C13H17ClN2O4S — CID 155758423

IUPAC4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine
SMILESO=S(=O)(c1cc(Cl)nc(N2CCOCC2)c1)[C@H]1CCOC1
InChIInChI=1S/C13H17ClN2O4S/c14-12-7-11(21(17,18)10-1-4-20-9-10)8-13(15-12)16-2-5-19-6-3-16/h7-8,10H,1-6,9H2/t10-/m0/s1
InChIKeyLIZKMYRXHAYKOZ-JTQLQIEISA-N
MW332.81 g/mol
LogP1.13
Rot. Bonds3

About 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine

4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine (PubChem CID 155758423) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine
PubChem CID155758423
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine
SMILESO=S(=O)(c1cc(Cl)nc(N2CCOCC2)c1)[C@H]1CCOC1
InChIInChI=1S/C13H17ClN2O4S/c14-12-7-11(21(17,18)10-1-4-20-9-10)8-13(15-12)16-2-5-19-6-3-16/h7-8,10H,1-6,9H2/t10-/m0/s1
InChIKeyLIZKMYRXHAYKOZ-JTQLQIEISA-N
XLogP1.13
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.13
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

5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine
CID 146173235
4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
CID 175051525
N-cyclopropyl-5-[3-morpholin-4-yl-5-(oxolan-3-ylsulfonyl)phenyl]pyrimidin-2-amine
CID 146177394
4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
CID 163901660
2-chloro-6-(1,4-oxazepan-4-yl)pyridine-4-carboxylic acid
CID 55139980
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 144717519
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492
4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
CID 71846233
(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one
CID 161185733
4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
CID 59529076
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
CID 90456839
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine (CID 155758423) is 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine is O=S(=O)(c1cc(Cl)nc(N2CCOCC2)c1)[C@H]1CCOC1.
What is the InChIKey of 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine?
The InChIKey is LIZKMYRXHAYKOZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c14-12-7-11(21(17,18)10-1-4-20-9-10)8-13(15-12)16-2-5-19-6-3-16/h7-8,10H,1-6,9H2/t10-/m0/s1.
What are the key properties of 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine?
4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine has a molecular weight of 332.81 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 155758423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).