7-thia-2-azaspiro[4.6]undecane

C9H17NS — CID 118209563

IUPAC7-thia-2-azaspiro[4.6]undecane
SMILESC1CCC2(CCNC2)CSC1
InChIInChI=1S/C9H17NS/c1-2-6-11-8-9(3-1)4-5-10-7-9/h10H,1-8H2
InChIKeyMAZXGCFXIZYXGG-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.88
Rot. Bonds

About 7-thia-2-azaspiro[4.6]undecane

7-thia-2-azaspiro[4.6]undecane (PubChem CID 118209563) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 7-thia-2-azaspiro[4.6]undecane.

Molecular Properties

Compound Name7-thia-2-azaspiro[4.6]undecane
PubChem CID118209563
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name7-thia-2-azaspiro[4.6]undecane
SMILESC1CCC2(CCNC2)CSC1
InChIInChI=1S/C9H17NS/c1-2-6-11-8-9(3-1)4-5-10-7-9/h10H,1-8H2
InChIKeyMAZXGCFXIZYXGG-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Fluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 71306131
(4S,5S)-4-(Fluoromethyl)-1-thia-8-azaspiro[4.6]undecane
CID 97112375
7-Thia-2-azaspiro[4.5]decane
CID 62873332
2-Cycloheptyl-1,3-thiazolidine
CID 65910324
6-Thia-9-azaspiro[4.6]undecane
CID 71777824
6-Thia-2-azaspiro[4.5]decane
CID 105430848
2-Thia-9-azaspiro[4.6]undecane
CID 112489546
7-Thia-10-azaspiro[4.6]undecane
CID 115100241
6-Thia-10-azaspiro[4.6]undecane
CID 118209804
10-Thia-1-azaspiro[4.6]undecane
CID 118209904
1-Thia-9-azaspiro[4.6]undecane
CID 118209963
2-Thia-10-azaspiro[4.6]undecane
CID 118210289

Frequently Asked Questions

What is the IUPAC name of 7-thia-2-azaspiro[4.6]undecane?
The IUPAC name of 7-thia-2-azaspiro[4.6]undecane (CID 118209563) is 7-thia-2-azaspiro[4.6]undecane.
What is the SMILES notation for 7-thia-2-azaspiro[4.6]undecane?
The canonical SMILES for 7-thia-2-azaspiro[4.6]undecane is C1CCC2(CCNC2)CSC1.
What is the InChIKey of 7-thia-2-azaspiro[4.6]undecane?
The InChIKey is MAZXGCFXIZYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-6-11-8-9(3-1)4-5-10-7-9/h10H,1-8H2.
What are the key properties of 7-thia-2-azaspiro[4.6]undecane?
7-thia-2-azaspiro[4.6]undecane has a molecular weight of 171.31 g/mol, XLogP of 1.88, 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[4.6]undecane is sourced from PubChem (CID 118209563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).