4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine

C11H15ClN2O2S2 — CID 113238157

IUPAC4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
SMILESCC1SCCN(S(=O)(=O)c2ccc(Cl)nc2)C1C
InChIInChI=1S/C11H15ClN2O2S2/c1-8-9(2)17-6-5-14(8)18(15,16)10-3-4-11(12)13-7-10/h3-4,7-9H,5-6H2,1-2H3
InChIKeyFHDMITFXSJKYSF-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.25
Rot. Bonds2

About 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine

4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine (PubChem CID 113238157) has the molecular formula C11H15ClN2O2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
PubChem CID113238157
Molecular FormulaC11H15ClN2O2S2
Molecular Weight306.84 g/mol
Exact Mass306.03
IUPAC Name4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
SMILESCC1SCCN(S(=O)(=O)c2ccc(Cl)nc2)C1C
InChIInChI=1S/C11H15ClN2O2S2/c1-8-9(2)17-6-5-14(8)18(15,16)10-3-4-11(12)13-7-10/h3-4,7-9H,5-6H2,1-2H3
InChIKeyFHDMITFXSJKYSF-UHFFFAOYSA-N
XLogP2.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine (CID 113238157) is 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine is CC1SCCN(S(=O)(=O)c2ccc(Cl)nc2)C1C.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine?
The InChIKey is FHDMITFXSJKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S2/c1-8-9(2)17-6-5-14(8)18(15,16)10-3-4-11(12)13-7-10/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine?
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine has a molecular weight of 306.84 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine is sourced from PubChem (CID 113238157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).