7-thiaspiro[2.6]nonan-2-ylmethanamine

C9H17NS — CID 83827269

IUPAC7-thiaspiro[2.6]nonan-2-ylmethanamine
SMILESNCC1CC12CCCSCC2
InChIInChI=1S/C9H17NS/c10-7-8-6-9(8)2-1-4-11-5-3-9/h8H,1-7,10H2
InChIKeyISJKXNBSIGNSFH-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.87
Rot. Bonds1

About 7-thiaspiro[2.6]nonan-2-ylmethanamine

7-thiaspiro[2.6]nonan-2-ylmethanamine (PubChem CID 83827269) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 7-thiaspiro[2.6]nonan-2-ylmethanamine.

Molecular Properties

Compound Name7-thiaspiro[2.6]nonan-2-ylmethanamine
PubChem CID83827269
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name7-thiaspiro[2.6]nonan-2-ylmethanamine
SMILESNCC1CC12CCCSCC2
InChIInChI=1S/C9H17NS/c10-7-8-6-9(8)2-1-4-11-5-3-9/h8H,1-7,10H2
InChIKeyISJKXNBSIGNSFH-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-thiaspiro[2.6]nonan-2-ylmethanamine?
The IUPAC name of 7-thiaspiro[2.6]nonan-2-ylmethanamine (CID 83827269) is 7-thiaspiro[2.6]nonan-2-ylmethanamine.
What is the SMILES notation for 7-thiaspiro[2.6]nonan-2-ylmethanamine?
The canonical SMILES for 7-thiaspiro[2.6]nonan-2-ylmethanamine is NCC1CC12CCCSCC2.
What is the InChIKey of 7-thiaspiro[2.6]nonan-2-ylmethanamine?
The InChIKey is ISJKXNBSIGNSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c10-7-8-6-9(8)2-1-4-11-5-3-9/h8H,1-7,10H2.
What are the key properties of 7-thiaspiro[2.6]nonan-2-ylmethanamine?
7-thiaspiro[2.6]nonan-2-ylmethanamine has a molecular weight of 171.31 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiaspiro[2.6]nonan-2-ylmethanamine is sourced from PubChem (CID 83827269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).