5-thiaspiro[2.5]octan-8-amine

C7H13NS — CID 82417837

IUPAC5-thiaspiro[2.5]octan-8-amine
SMILESNC1CCSCC12CC2
InChIInChI=1S/C7H13NS/c8-6-1-4-9-5-7(6)2-3-7/h6H,1-5,8H2
InChIKeyCQCVKTXCIFGKKX-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.23
Rot. Bonds

About 5-thiaspiro[2.5]octan-8-amine

5-thiaspiro[2.5]octan-8-amine (PubChem CID 82417837) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-thiaspiro[2.5]octan-8-amine.

Molecular Properties

Compound Name5-thiaspiro[2.5]octan-8-amine
PubChem CID82417837
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-thiaspiro[2.5]octan-8-amine
SMILESNC1CCSCC12CC2
InChIInChI=1S/C7H13NS/c8-6-1-4-9-5-7(6)2-3-7/h6H,1-5,8H2
InChIKeyCQCVKTXCIFGKKX-UHFFFAOYSA-N
XLogP1.23
TPSA26.02 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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-thiaspiro[2.5]octan-8-amine?
The IUPAC name of 5-thiaspiro[2.5]octan-8-amine (CID 82417837) is 5-thiaspiro[2.5]octan-8-amine.
What is the SMILES notation for 5-thiaspiro[2.5]octan-8-amine?
The canonical SMILES for 5-thiaspiro[2.5]octan-8-amine is NC1CCSCC12CC2.
What is the InChIKey of 5-thiaspiro[2.5]octan-8-amine?
The InChIKey is CQCVKTXCIFGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c8-6-1-4-9-5-7(6)2-3-7/h6H,1-5,8H2.
What are the key properties of 5-thiaspiro[2.5]octan-8-amine?
5-thiaspiro[2.5]octan-8-amine has a molecular weight of 143.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiaspiro[2.5]octan-8-amine is sourced from PubChem (CID 82417837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).