1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole

C7H13NS — CID 82417838

IUPAC1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole
SMILESC1CSC2CCNC2C1
InChIInChI=1S/C7H13NS/c1-2-6-7(9-5-1)3-4-8-6/h6-8H,1-5H2
InChIKeyOMBYGUXVHQJLID-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.24
Rot. Bonds

About 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole

1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole (PubChem CID 82417838) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole
PubChem CID82417838
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole
SMILESC1CSC2CCNC2C1
InChIInChI=1S/C7H13NS/c1-2-6-7(9-5-1)3-4-8-6/h6-8H,1-5H2
InChIKeyOMBYGUXVHQJLID-UHFFFAOYSA-N
XLogP1.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole?
The IUPAC name of 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole (CID 82417838) is 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole.
What is the SMILES notation for 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole?
The canonical SMILES for 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole is C1CSC2CCNC2C1.
What is the InChIKey of 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole?
The InChIKey is OMBYGUXVHQJLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-6-7(9-5-1)3-4-8-6/h6-8H,1-5H2.
What are the key properties of 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole?
1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole has a molecular weight of 143.25 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,5,6,7,7a-octahydrothiopyrano[3,2-b]pyrrole is sourced from PubChem (CID 82417838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).