8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C8H15NOS2 — CID 170423133

IUPAC8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESSSOCC12CCCN1CCC2
InChIInChI=1S/C8H15NOS2/c11-12-10-7-8-3-1-5-9(8)6-2-4-8/h11H,1-7H2
InChIKeyIKAYHJWJIJMFQQ-UHFFFAOYSA-N
MW205.35 g/mol
LogP2.12
Rot. Bonds3

About 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170423133) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID170423133
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESSSOCC12CCCN1CCC2
InChIInChI=1S/C8H15NOS2/c11-12-10-7-8-3-1-5-9(8)6-2-4-8/h11H,1-7H2
InChIKeyIKAYHJWJIJMFQQ-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 170423133) is 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is SSOCC12CCCN1CCC2.
What is the InChIKey of 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is IKAYHJWJIJMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c11-12-10-7-8-3-1-5-9(8)6-2-4-8/h11H,1-7H2.
What are the key properties of 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 205.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(disulfanyloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170423133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).