2-thia-9-azaspiro[4.5]decane

C8H15NS — CID 82415824

IUPAC2-thia-9-azaspiro[4.5]decane
SMILESC1CNCC2(C1)CCSC2
InChIInChI=1S/C8H15NS/c1-2-8(6-9-4-1)3-5-10-7-8/h9H,1-7H2
InChIKeyFBSCSPRKSOFKPP-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds

About 2-thia-9-azaspiro[4.5]decane

2-thia-9-azaspiro[4.5]decane (PubChem CID 82415824) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-thia-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-thia-9-azaspiro[4.5]decane
PubChem CID82415824
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-thia-9-azaspiro[4.5]decane
SMILESC1CNCC2(C1)CCSC2
InChIInChI=1S/C8H15NS/c1-2-8(6-9-4-1)3-5-10-7-8/h9H,1-7H2
InChIKeyFBSCSPRKSOFKPP-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thia-9-azaspiro[4.5]decane?
The IUPAC name of 2-thia-9-azaspiro[4.5]decane (CID 82415824) is 2-thia-9-azaspiro[4.5]decane.
What is the SMILES notation for 2-thia-9-azaspiro[4.5]decane?
The canonical SMILES for 2-thia-9-azaspiro[4.5]decane is C1CNCC2(C1)CCSC2.
What is the InChIKey of 2-thia-9-azaspiro[4.5]decane?
The InChIKey is FBSCSPRKSOFKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-8(6-9-4-1)3-5-10-7-8/h9H,1-7H2.
What are the key properties of 2-thia-9-azaspiro[4.5]decane?
2-thia-9-azaspiro[4.5]decane has a molecular weight of 157.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-9-azaspiro[4.5]decane is sourced from PubChem (CID 82415824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).