(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole

C7H13NS — CID 96733476

IUPAC(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole
SMILESC1C[C@H]2CCSC[C@@H]2N1
InChIInChI=1S/C7H13NS/c1-3-8-7-5-9-4-2-6(1)7/h6-8H,1-5H2/t6-,7-/m0/s1
InChIKeyFUPTWIHZVZZJGP-BQBZGAKWSA-N
MW143.25 g/mol
LogP1.10
Rot. Bonds

About (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole

(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole (PubChem CID 96733476) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole.

Molecular Properties

Compound Name(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole
PubChem CID96733476
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole
SMILESC1C[C@H]2CCSC[C@@H]2N1
InChIInChI=1S/C7H13NS/c1-3-8-7-5-9-4-2-6(1)7/h6-8H,1-5H2/t6-,7-/m0/s1
InChIKeyFUPTWIHZVZZJGP-BQBZGAKWSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole?
The IUPAC name of (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole (CID 96733476) is (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole.
What is the SMILES notation for (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole?
The canonical SMILES for (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole is C1C[C@H]2CCSC[C@@H]2N1.
What is the InChIKey of (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole?
The InChIKey is FUPTWIHZVZZJGP-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-8-7-5-9-4-2-6(1)7/h6-8H,1-5H2/t6-,7-/m0/s1.
What are the key properties of (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole?
(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole has a molecular weight of 143.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole is sourced from PubChem (CID 96733476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).