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

C11H15ClN2O2S2 — CID 115683090

IUPAC4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Cl)nc2)CCS1
InChIInChI=1S/C11H15ClN2O2S2/c1-11(2)8-14(5-6-17-11)18(15,16)9-3-4-10(12)13-7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyQMYUHQNGURJWGO-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.25
Rot. Bonds2

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

4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine (PubChem CID 115683090) has the molecular formula C11H15ClN2O2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
PubChem CID115683090
Molecular FormulaC11H15ClN2O2S2
Molecular Weight306.84 g/mol
Exact Mass306.03
IUPAC Name4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Cl)nc2)CCS1
InChIInChI=1S/C11H15ClN2O2S2/c1-11(2)8-14(5-6-17-11)18(15,16)9-3-4-10(12)13-7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyQMYUHQNGURJWGO-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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Related Compounds

1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane
CID 63160154
4-[(5-bromo-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
CID 113252456
1-[(6-chloro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperidine-4-carboxamide
CID 175401884
2-[4-(2,2-dimethylthiomorpholin-4-yl)sulfonylphenyl]acetonitrile
CID 115683063
3-(2,2-dimethylthiomorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791781
2,2-dimethyl-4-(1H-pyrazol-5-ylsulfonyl)thiomorpholine
CID 102693433
5-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-2-fluorobenzonitrile
CID 115683060
tert-butyl 4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 11739940
6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163440
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine
CID 115774315
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238157

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine (CID 115683090) is 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine is CC1(C)CN(S(=O)(=O)c2ccc(Cl)nc2)CCS1.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine?
The InChIKey is QMYUHQNGURJWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S2/c1-11(2)8-14(5-6-17-11)18(15,16)9-3-4-10(12)13-7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine?
4-[(6-chloro-3-pyridinyl)sulfonyl]-2,2-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]-2,2-dimethylthiomorpholine is sourced from PubChem (CID 115683090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).