6-thia-9-azaspiro[3.6]decane

C8H15NS — CID 115100228

IUPAC6-thia-9-azaspiro[3.6]decane
SMILESC1CC2(C1)CNCCSC2
InChIInChI=1S/C8H15NS/c1-2-8(3-1)6-9-4-5-10-7-8/h9H,1-7H2
InChIKeyUFLQERPSEZGTLT-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds

About 6-thia-9-azaspiro[3.6]decane

6-thia-9-azaspiro[3.6]decane (PubChem CID 115100228) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 6-thia-9-azaspiro[3.6]decane.

Molecular Properties

Compound Name6-thia-9-azaspiro[3.6]decane
PubChem CID115100228
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name6-thia-9-azaspiro[3.6]decane
SMILESC1CC2(C1)CNCCSC2
InChIInChI=1S/C8H15NS/c1-2-8(3-1)6-9-4-5-10-7-8/h9H,1-7H2
InChIKeyUFLQERPSEZGTLT-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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Related Compounds

2-Thia-8-azaspiro[3.6]decane
CID 96634449
2-Thia-9-azaspiro[4.6]undecane
CID 112489546
7-Thia-10-azaspiro[4.6]undecane
CID 115100241
5-Thia-9-azaspiro[3.6]decane
CID 118209641
1-Thia-8-azaspiro[3.6]decane
CID 118209728
6-Thia-2-azaspiro[3.6]decane
CID 118209841
9-Thia-5-azaspiro[3.6]decane
CID 118209998
1-Thia-9-azaspiro[3.6]decane
CID 118210052
5-Thia-8-azaspiro[3.6]decane
CID 118210367
6-Thia-10-azaspiro[3.7]undecane
CID 118210554
2-Thia-9-azaspiro[3.6]decane
CID 118210805
2-(2,5-Dimethylhexan-2-yl)-1,3-thiazepane
CID 155036175

Frequently Asked Questions

What is the IUPAC name of 6-thia-9-azaspiro[3.6]decane?
The IUPAC name of 6-thia-9-azaspiro[3.6]decane (CID 115100228) is 6-thia-9-azaspiro[3.6]decane.
What is the SMILES notation for 6-thia-9-azaspiro[3.6]decane?
The canonical SMILES for 6-thia-9-azaspiro[3.6]decane is C1CC2(C1)CNCCSC2.
What is the InChIKey of 6-thia-9-azaspiro[3.6]decane?
The InChIKey is UFLQERPSEZGTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-8(3-1)6-9-4-5-10-7-8/h9H,1-7H2.
What are the key properties of 6-thia-9-azaspiro[3.6]decane?
6-thia-9-azaspiro[3.6]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 6-thia-9-azaspiro[3.6]decane is sourced from PubChem (CID 115100228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).