3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine

C9H11NS2 — CID 82376674

IUPAC3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
SMILESc1cc2c(s1)SC(C1CC1)CN2
InChIInChI=1S/C9H11NS2/c1-2-6(1)8-5-10-7-3-4-11-9(7)12-8/h3-4,6,8,10H,1-2,5H2
InChIKeyYZFPPRLGCCXFIK-UHFFFAOYSA-N
MW197.33 g/mol
LogP3.04
Rot. Bonds1

About 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine

3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine (PubChem CID 82376674) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
PubChem CID82376674
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
SMILESc1cc2c(s1)SC(C1CC1)CN2
InChIInChI=1S/C9H11NS2/c1-2-6(1)8-5-10-7-3-4-11-9(7)12-8/h3-4,6,8,10H,1-2,5H2
InChIKeyYZFPPRLGCCXFIK-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The IUPAC name of 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine (CID 82376674) is 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine.
What is the SMILES notation for 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The canonical SMILES for 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine is c1cc2c(s1)SC(C1CC1)CN2.
What is the InChIKey of 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The InChIKey is YZFPPRLGCCXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-2-6(1)8-5-10-7-3-4-11-9(7)12-8/h3-4,6,8,10H,1-2,5H2.
What are the key properties of 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine has a molecular weight of 197.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine is sourced from PubChem (CID 82376674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).