1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide

C7H11N3O2S — CID 71758772

IUPAC1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide
SMILESCc1nn(C)c2c1NCCS2(=O)=O
InChIInChI=1S/C7H11N3O2S/c1-5-6-7(10(2)9-5)13(11,12)4-3-8-6/h8H,3-4H2,1-2H3
InChIKeyIFBMSKYVMKWOBE-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.07
Rot. Bonds

About 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide

1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide (PubChem CID 71758772) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide.

Molecular Properties

Compound Name1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide
PubChem CID71758772
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide
SMILESCc1nn(C)c2c1NCCS2(=O)=O
InChIInChI=1S/C7H11N3O2S/c1-5-6-7(10(2)9-5)13(11,12)4-3-8-6/h8H,3-4H2,1-2H3
InChIKeyIFBMSKYVMKWOBE-UHFFFAOYSA-N
XLogP-0.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-1,4-dihydropyrazolo(3,4-b)(1,4)thiazin-5(6H)-one
CID 286495
1,5-Dimethyl-3-propan-2-ylsulfonylpyrazol-4-amine
CID 138597144
1,5-Dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine
CID 138597262
Propionic acid,2-[(4-amino-1,3-dimethyl-1h-pyrazol-5-yl)thio]-,d-lactam
CID 6432078
5-methanesulfonyl-1,3-dimethyl-1H-pyrazol-4-amine
CID 43553924
5-Ethylsulfonyl-1,3-dimethylpyrazol-4-amine
CID 43553926
1,3-Dimethyl-5-propylsulfonylpyrazol-4-amine
CID 43553928
1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazine
CID 54595037
1,3-Dimethyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
CID 63660603
1-Ethyl-3-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
CID 66010956
1-Ethyl-3-methyl-5-methylsulfonylpyrazol-4-amine
CID 66012186
1-Ethyl-5-ethylsulfonyl-3-methylpyrazol-4-amine
CID 66012187

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide?
The IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide (CID 71758772) is 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide.
What is the SMILES notation for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide?
The canonical SMILES for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide is Cc1nn(C)c2c1NCCS2(=O)=O.
What is the InChIKey of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide?
The InChIKey is IFBMSKYVMKWOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5-6-7(10(2)9-5)13(11,12)4-3-8-6/h8H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide?
1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide has a molecular weight of 201.25 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]thiazine 7,7-dioxide is sourced from PubChem (CID 71758772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).