8-thia-2,11-diazaspiro[5.6]dodecane

C9H18N2S — CID 23135235

IUPAC8-thia-2,11-diazaspiro[5.6]dodecane
SMILESC1CNCC2(C1)CNCCSC2
InChIInChI=1S/C9H18N2S/c1-2-9(6-10-3-1)7-11-4-5-12-8-9/h10-11H,1-8H2
InChIKeyCUDWTKFKSDUBLB-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.69
Rot. Bonds

About 8-thia-2,11-diazaspiro[5.6]dodecane

8-thia-2,11-diazaspiro[5.6]dodecane (PubChem CID 23135235) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 8-thia-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-thia-2,11-diazaspiro[5.6]dodecane
PubChem CID23135235
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name8-thia-2,11-diazaspiro[5.6]dodecane
SMILESC1CNCC2(C1)CNCCSC2
InChIInChI=1S/C9H18N2S/c1-2-9(6-10-3-1)7-11-4-5-12-8-9/h10-11H,1-8H2
InChIKeyCUDWTKFKSDUBLB-UHFFFAOYSA-N
XLogP0.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23135206
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CID 57269641
2-(2,2-Dimethylpropyl)thiomorpholine
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3,3-Dimethyl-5-methylsulfanylpiperidine
CID 146514881
2-methyl-N-propan-2-yl-2-(1,4-thiazepan-4-ylmethyl)pentan-1-amine
CID 55056263
N-ethyl-4,4-dimethyl-1-(1,4-thiazepan-4-yl)pentan-3-amine
CID 55098818
4-[(4-Propylpiperidin-4-yl)methyl]-1,4-thiazepane
CID 55177800
4-(Piperidin-4-ylmethyl)-1,4-thiazepane
CID 61419374
4-(Piperidin-3-ylmethyl)-1,4-thiazepane
CID 61419375
4-(2-Piperidin-4-ylethyl)-1,4-thiazepane
CID 61419539
2-(Piperidin-3-ylmethylsulfanyl)ethanamine
CID 61677816

Frequently Asked Questions

What is the IUPAC name of 8-thia-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 8-thia-2,11-diazaspiro[5.6]dodecane (CID 23135235) is 8-thia-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-thia-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-thia-2,11-diazaspiro[5.6]dodecane is C1CNCC2(C1)CNCCSC2.
What is the InChIKey of 8-thia-2,11-diazaspiro[5.6]dodecane?
The InChIKey is CUDWTKFKSDUBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-9(6-10-3-1)7-11-4-5-12-8-9/h10-11H,1-8H2.
What are the key properties of 8-thia-2,11-diazaspiro[5.6]dodecane?
8-thia-2,11-diazaspiro[5.6]dodecane has a molecular weight of 186.32 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thia-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 23135235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).