3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide

C6H10N4O2S — CID 15155610

IUPAC3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide
SMILESO=S1(=O)N=CNC(N2CCCC2)=N1
InChIInChI=1S/C6H10N4O2S/c11-13(12)8-5-7-6(9-13)10-3-1-2-4-10/h5H,1-4H2,(H,7,8,9)
InChIKeyPXIZRRWEDRWMQL-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.69
Rot. Bonds

About 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide

3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide (PubChem CID 15155610) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide
PubChem CID15155610
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide
SMILESO=S1(=O)N=CNC(N2CCCC2)=N1
InChIInChI=1S/C6H10N4O2S/c11-13(12)8-5-7-6(9-13)10-3-1-2-4-10/h5H,1-4H2,(H,7,8,9)
InChIKeyPXIZRRWEDRWMQL-UHFFFAOYSA-N
XLogP-0.69
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4H-1,2,4,6-thiatriazine 1,1-dioxide
CID 154306010
(2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone
CID 176526128
4-pyrrolidin-1-ylpyridine
CID 158456628
bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride
CID 139181305
5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
CID 20934698
1,6-diazabicyclo[4.4.1]undecan-11-one
CID 70385964
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(azetidin-1-yl)-3-pyrrolidin-1-ylpyrrol-2-one
CID 141192974
4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 77080425
1,1-dioxo-N-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine
CID 4905675
4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 30033455
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide?
The IUPAC name of 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide (CID 15155610) is 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide.
What is the SMILES notation for 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide?
The canonical SMILES for 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide is O=S1(=O)N=CNC(N2CCCC2)=N1.
What is the InChIKey of 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide?
The InChIKey is PXIZRRWEDRWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c11-13(12)8-5-7-6(9-13)10-3-1-2-4-10/h5H,1-4H2,(H,7,8,9).
What are the key properties of 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide?
3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide has a molecular weight of 202.24 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide is sourced from PubChem (CID 15155610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).