7-thia-2-azaspiro[4.5]decane

C8H15NS — CID 62873332

IUPAC7-thia-2-azaspiro[4.5]decane
SMILESC1CSCC2(C1)CCNC2
InChIInChI=1S/C8H15NS/c1-2-8(7-10-5-1)3-4-9-6-8/h9H,1-7H2
InChIKeyFOKHALOHWOSJKB-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds

About 7-thia-2-azaspiro[4.5]decane

7-thia-2-azaspiro[4.5]decane (PubChem CID 62873332) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 7-thia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-thia-2-azaspiro[4.5]decane
PubChem CID62873332
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name7-thia-2-azaspiro[4.5]decane
SMILESC1CSCC2(C1)CCNC2
InChIInChI=1S/C8H15NS/c1-2-8(7-10-5-1)3-4-9-6-8/h9H,1-7H2
InChIKeyFOKHALOHWOSJKB-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 7-thia-2-azaspiro[4.5]decane?
The IUPAC name of 7-thia-2-azaspiro[4.5]decane (CID 62873332) is 7-thia-2-azaspiro[4.5]decane.
What is the SMILES notation for 7-thia-2-azaspiro[4.5]decane?
The canonical SMILES for 7-thia-2-azaspiro[4.5]decane is C1CSCC2(C1)CCNC2.
What is the InChIKey of 7-thia-2-azaspiro[4.5]decane?
The InChIKey is FOKHALOHWOSJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-8(7-10-5-1)3-4-9-6-8/h9H,1-7H2.
What are the key properties of 7-thia-2-azaspiro[4.5]decane?
7-thia-2-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 7-thia-2-azaspiro[4.5]decane is sourced from PubChem (CID 62873332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).