1-thia-8-azaspiro[4.5]decan-4-amine

C8H16N2S — CID 151386409

IUPAC1-thia-8-azaspiro[4.5]decan-4-amine
SMILESNC1CCSC12CCNCC2
InChIInChI=1S/C8H16N2S/c9-7-1-6-11-8(7)2-4-10-5-3-8/h7,10H,1-6,9H2
InChIKeyOTMPEEIFDOWTOK-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.57
Rot. Bonds

About 1-thia-8-azaspiro[4.5]decan-4-amine

1-thia-8-azaspiro[4.5]decan-4-amine (PubChem CID 151386409) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-thia-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name1-thia-8-azaspiro[4.5]decan-4-amine
PubChem CID151386409
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-thia-8-azaspiro[4.5]decan-4-amine
SMILESNC1CCSC12CCNCC2
InChIInChI=1S/C8H16N2S/c9-7-1-6-11-8(7)2-4-10-5-3-8/h7,10H,1-6,9H2
InChIKeyOTMPEEIFDOWTOK-UHFFFAOYSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thia-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 1-thia-8-azaspiro[4.5]decan-4-amine (CID 151386409) is 1-thia-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 1-thia-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 1-thia-8-azaspiro[4.5]decan-4-amine is NC1CCSC12CCNCC2.
What is the InChIKey of 1-thia-8-azaspiro[4.5]decan-4-amine?
The InChIKey is OTMPEEIFDOWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c9-7-1-6-11-8(7)2-4-10-5-3-8/h7,10H,1-6,9H2.
What are the key properties of 1-thia-8-azaspiro[4.5]decan-4-amine?
1-thia-8-azaspiro[4.5]decan-4-amine has a molecular weight of 172.30 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 151386409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).