4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide

C14H15Cl2N3OS — CID 84599367

IUPAC4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1(C)CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCS1=O
InChIInChI=1S/C14H15Cl2N3OS/c1-14(2)8-19(3-4-21(14)20)13-7-17-11-5-9(15)10(16)6-12(11)18-13/h5-7H,3-4,8H2,1-2H3
InChIKeyOOGCRFXAHDHMOX-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.28
Rot. Bonds1

About 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide

4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 84599367) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide
PubChem CID84599367
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1(C)CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCS1=O
InChIInChI=1S/C14H15Cl2N3OS/c1-14(2)8-19(3-4-21(14)20)13-7-17-11-5-9(15)10(16)6-12(11)18-13/h5-7H,3-4,8H2,1-2H3
InChIKeyOOGCRFXAHDHMOX-UHFFFAOYSA-N
XLogP3.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide (CID 84599367) is 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide is CC1(C)CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCS1=O.
What is the InChIKey of 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is OOGCRFXAHDHMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-14(2)8-19(3-4-21(14)20)13-7-17-11-5-9(15)10(16)6-12(11)18-13/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 344.27 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dichloroquinoxalin-2-yl)-2,2-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 84599367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).