6-oxa-2-thiaspiro[4.5]decan-9-amine

C8H15NOS — CID 71756615

IUPAC6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESNC1CCOC2(CCSC2)C1
InChIInChI=1S/C8H15NOS/c9-7-1-3-10-8(5-7)2-4-11-6-8/h7H,1-6,9H2
InChIKeyICDSYTUJXHDOSO-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.00
Rot. Bonds

About 6-oxa-2-thiaspiro[4.5]decan-9-amine

6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 71756615) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID71756615
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESNC1CCOC2(CCSC2)C1
InChIInChI=1S/C8H15NOS/c9-7-1-3-10-8(5-7)2-4-11-6-8/h7H,1-6,9H2
InChIKeyICDSYTUJXHDOSO-UHFFFAOYSA-N
XLogP1.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 71756615) is 6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for 6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for 6-oxa-2-thiaspiro[4.5]decan-9-amine is NC1CCOC2(CCSC2)C1.
What is the InChIKey of 6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is ICDSYTUJXHDOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c9-7-1-3-10-8(5-7)2-4-11-6-8/h7H,1-6,9H2.
What are the key properties of 6-oxa-2-thiaspiro[4.5]decan-9-amine?
6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 173.28 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 71756615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).