propane;1-thia-4-azaspiro[5.5]undecane

C12H25NS — CID 123480462

IUPACpropane;1-thia-4-azaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCCS2.CCC
InChIInChI=1S/C9H17NS.C3H8/c1-2-4-9(5-3-1)8-10-6-7-11-9;1-3-2/h10H,1-8H2;3H2,1-2H3
InChIKeyWSTMIVOLOUEYHH-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds

About propane;1-thia-4-azaspiro[5.5]undecane

propane;1-thia-4-azaspiro[5.5]undecane (PubChem CID 123480462) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is propane;1-thia-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Namepropane;1-thia-4-azaspiro[5.5]undecane
PubChem CID123480462
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Namepropane;1-thia-4-azaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCCS2.CCC
InChIInChI=1S/C9H17NS.C3H8/c1-2-4-9(5-3-1)8-10-6-7-11-9;1-3-2/h10H,1-8H2;3H2,1-2H3
InChIKeyWSTMIVOLOUEYHH-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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9-Thia-2-azaspiro(5.5)undecane
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4-Tert-butylsulfanylpiperidine
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CID 140640625
2-(1-Methylbutyl)-1,3-thiazinane
CID 3061408
3-Fluoro-3-(thian-4-yl)piperidine
CID 83819655
2-(3-fluorothian-3-yl)-N-methylethanamine
CID 84732157
3-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine
CID 105445589
2-fluoro-N-methyl-3-(thian-3-yl)propan-1-amine
CID 105445597

Frequently Asked Questions

What is the IUPAC name of propane;1-thia-4-azaspiro[5.5]undecane?
The IUPAC name of propane;1-thia-4-azaspiro[5.5]undecane (CID 123480462) is propane;1-thia-4-azaspiro[5.5]undecane.
What is the SMILES notation for propane;1-thia-4-azaspiro[5.5]undecane?
The canonical SMILES for propane;1-thia-4-azaspiro[5.5]undecane is C1CCC2(CC1)CNCCS2.CCC.
What is the InChIKey of propane;1-thia-4-azaspiro[5.5]undecane?
The InChIKey is WSTMIVOLOUEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS.C3H8/c1-2-4-9(5-3-1)8-10-6-7-11-9;1-3-2/h10H,1-8H2;3H2,1-2H3.
What are the key properties of propane;1-thia-4-azaspiro[5.5]undecane?
propane;1-thia-4-azaspiro[5.5]undecane has a molecular weight of 215.41 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1-thia-4-azaspiro[5.5]undecane is sourced from PubChem (CID 123480462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).