3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine

C6H10N2S — CID 175747989

IUPAC3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine
SMILESC1CC2=NCCSN2C1
InChIInChI=1S/C6H10N2S/c1-2-6-7-3-5-9-8(6)4-1/h1-5H2
InChIKeyZYGWBDCIRPQJDX-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.14
Rot. Bonds

About 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine

3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine (PubChem CID 175747989) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine.

Molecular Properties

Compound Name3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine
PubChem CID175747989
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine
SMILESC1CC2=NCCSN2C1
InChIInChI=1S/C6H10N2S/c1-2-6-7-3-5-9-8(6)4-1/h1-5H2
InChIKeyZYGWBDCIRPQJDX-UHFFFAOYSA-N
XLogP1.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-5-methyliminopyrrolidine-3-thiol
CID 147486552
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine-3-thiol
CID 154515773
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidin-2-ylmethanethiol
CID 154517615
4-Methyl-4,6,7,8-tetrahydropyrrolo[1,2-a][1,3,5]triazine-7-thiol
CID 163827313
N-methyl-1-methylsulfanylpyrrolidin-2-imine
CID 166800640
1-(2-Methyliminopyrrolidin-1-yl)ethanethiol
CID 169679715

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine?
The IUPAC name of 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine (CID 175747989) is 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine.
What is the SMILES notation for 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine?
The canonical SMILES for 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine is C1CC2=NCCSN2C1.
What is the InChIKey of 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine?
The InChIKey is ZYGWBDCIRPQJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-2-6-7-3-5-9-8(6)4-1/h1-5H2.
What are the key properties of 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine?
3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine has a molecular weight of 142.23 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine is sourced from PubChem (CID 175747989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).