1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride

C9H11ClN2O3S — CID 138681375

IUPAC1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride
SMILESCC1CN(C)c2cc(S(=O)(=O)Cl)cnc2O1
InChIInChI=1S/C9H11ClN2O3S/c1-6-5-12(2)8-3-7(16(10,13)14)4-11-9(8)15-6/h3-4,6H,5H2,1-2H3
InChIKeyYDBORVDWDAEVMA-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.23
Rot. Bonds1

About 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride

1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride (PubChem CID 138681375) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride.

Molecular Properties

Compound Name1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride
PubChem CID138681375
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride
SMILESCC1CN(C)c2cc(S(=O)(=O)Cl)cnc2O1
InChIInChI=1S/C9H11ClN2O3S/c1-6-5-12(2)8-3-7(16(10,13)14)4-11-9(8)15-6/h3-4,6H,5H2,1-2H3
InChIKeyYDBORVDWDAEVMA-UHFFFAOYSA-N
XLogP1.23
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride?
The IUPAC name of 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride (CID 138681375) is 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride.
What is the SMILES notation for 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride?
The canonical SMILES for 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride is CC1CN(C)c2cc(S(=O)(=O)Cl)cnc2O1.
What is the InChIKey of 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride?
The InChIKey is YDBORVDWDAEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-6-5-12(2)8-3-7(16(10,13)14)4-11-9(8)15-6/h3-4,6H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride?
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride has a molecular weight of 262.72 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride is sourced from PubChem (CID 138681375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).