6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one

C10H10ClNO3S — CID 84637977

IUPAC6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
SMILESCC1(C)C(=O)Nc2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H10ClNO3S/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)16(10,14)15/h3-5H,1-2H3,(H,12,13)
InChIKeyQNEBODLUSIUPPL-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.84
Rot. Bonds

About 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one

6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one (PubChem CID 84637977) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
PubChem CID84637977
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
SMILESCC1(C)C(=O)Nc2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H10ClNO3S/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)16(10,14)15/h3-5H,1-2H3,(H,12,13)
InChIKeyQNEBODLUSIUPPL-UHFFFAOYSA-N
XLogP1.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
7-chloro-1,1-dioxospiro[2,5-dihydro-1λ6,5-benzothiazepine-3,1'-cyclobutane]-4-one
CID 115099346
7-chloro-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84632106
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
5-chloro-1-methyl-1,3-dihydrobenzimidazol-1-ium-2-one
CID 173135664
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79295398
8-chloro-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
CID 105357096
6-chloro-3-pentan-3-yl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 142640097
8-chloro-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-4-one
CID 115098498
6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730123
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
6-chlorospiro[1H-indole-3,3'-azetidine]-2-one
CID 155891599

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The IUPAC name of 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one (CID 84637977) is 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.
What is the SMILES notation for 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The canonical SMILES for 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one is CC1(C)C(=O)Nc2cc(Cl)ccc2S1(=O)=O.
What is the InChIKey of 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The InChIKey is QNEBODLUSIUPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)16(10,14)15/h3-5H,1-2H3,(H,12,13).
What are the key properties of 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one has a molecular weight of 259.71 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one is sourced from PubChem (CID 84637977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).