5-thia-9-azaspiro[3.6]decane

C8H15NS — CID 118209641

IUPAC5-thia-9-azaspiro[3.6]decane
SMILESC1CNCC2(CCC2)SC1
InChIInChI=1S/C8H15NS/c1-3-8(4-1)7-9-5-2-6-10-8/h9H,1-7H2
InChIKeyJNHWGGZYMVEDHK-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.64
Rot. Bonds

About 5-thia-9-azaspiro[3.6]decane

5-thia-9-azaspiro[3.6]decane (PubChem CID 118209641) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5-thia-9-azaspiro[3.6]decane.

Molecular Properties

Compound Name5-thia-9-azaspiro[3.6]decane
PubChem CID118209641
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5-thia-9-azaspiro[3.6]decane
SMILESC1CNCC2(CCC2)SC1
InChIInChI=1S/C8H15NS/c1-3-8(4-1)7-9-5-2-6-10-8/h9H,1-7H2
InChIKeyJNHWGGZYMVEDHK-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Dimethyl-1,4-thiazepane
CID 70319435
6-Thia-9-azaspiro[3.6]decane
CID 115100228
1-Thia-8-azaspiro[3.6]decane
CID 118209728
2-Thia-5-azabicyclo[5.2.0]nonane
CID 118209806
9-Thia-5-azaspiro[3.6]decane
CID 118209998
1-Thia-9-azaspiro[3.6]decane
CID 118210052
5-Thia-2-azabicyclo[5.2.0]nonane
CID 118210053
8-Thia-5-azaspiro[3.6]decane
CID 118210210
4-Thia-7-azaspiro[2.6]nonane
CID 118210335
5-Thia-8-azaspiro[3.6]decane
CID 118210367
2-Thia-9-azaspiro[3.6]decane
CID 118210805
N-(cyclobutylmethyl)-3-ethylsulfanylpropan-1-amine
CID 104080367

Frequently Asked Questions

What is the IUPAC name of 5-thia-9-azaspiro[3.6]decane?
The IUPAC name of 5-thia-9-azaspiro[3.6]decane (CID 118209641) is 5-thia-9-azaspiro[3.6]decane.
What is the SMILES notation for 5-thia-9-azaspiro[3.6]decane?
The canonical SMILES for 5-thia-9-azaspiro[3.6]decane is C1CNCC2(CCC2)SC1.
What is the InChIKey of 5-thia-9-azaspiro[3.6]decane?
The InChIKey is JNHWGGZYMVEDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-8(4-1)7-9-5-2-6-10-8/h9H,1-7H2.
What are the key properties of 5-thia-9-azaspiro[3.6]decane?
5-thia-9-azaspiro[3.6]decane has a molecular weight of 157.28 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thia-9-azaspiro[3.6]decane is sourced from PubChem (CID 118209641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).