6-thiaspiro[2.5]octan-2-ylmethanamine

C8H15NS — CID 62708519

IUPAC6-thiaspiro[2.5]octan-2-ylmethanamine
SMILESNCC1CC12CCSCC2
InChIInChI=1S/C8H15NS/c9-6-7-5-8(7)1-3-10-4-2-8/h7H,1-6,9H2
InChIKeyDEADULMKYIJVKW-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.48
Rot. Bonds1

About 6-thiaspiro[2.5]octan-2-ylmethanamine

6-thiaspiro[2.5]octan-2-ylmethanamine (PubChem CID 62708519) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 6-thiaspiro[2.5]octan-2-ylmethanamine.

Molecular Properties

Compound Name6-thiaspiro[2.5]octan-2-ylmethanamine
PubChem CID62708519
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name6-thiaspiro[2.5]octan-2-ylmethanamine
SMILESNCC1CC12CCSCC2
InChIInChI=1S/C8H15NS/c9-6-7-5-8(7)1-3-10-4-2-8/h7H,1-6,9H2
InChIKeyDEADULMKYIJVKW-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-thiaspiro[2.5]octan-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-thiaspiro[2.5]octan-2-ylmethanamine?
The IUPAC name of 6-thiaspiro[2.5]octan-2-ylmethanamine (CID 62708519) is 6-thiaspiro[2.5]octan-2-ylmethanamine.
What is the SMILES notation for 6-thiaspiro[2.5]octan-2-ylmethanamine?
The canonical SMILES for 6-thiaspiro[2.5]octan-2-ylmethanamine is NCC1CC12CCSCC2.
What is the InChIKey of 6-thiaspiro[2.5]octan-2-ylmethanamine?
The InChIKey is DEADULMKYIJVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c9-6-7-5-8(7)1-3-10-4-2-8/h7H,1-6,9H2.
What are the key properties of 6-thiaspiro[2.5]octan-2-ylmethanamine?
6-thiaspiro[2.5]octan-2-ylmethanamine has a molecular weight of 157.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiaspiro[2.5]octan-2-ylmethanamine is sourced from PubChem (CID 62708519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).