3-ethyl-1-thia-4,9-diazaspiro[4.5]decane

C9H18N2S — CID 80500848

IUPAC3-ethyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCCC1CSC2(CCCNC2)N1
InChIInChI=1S/C9H18N2S/c1-2-8-6-12-9(11-8)4-3-5-10-7-9/h8,10-11H,2-7H2,1H3
InChIKeyGAIHZGSHBBEGJB-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.18
Rot. Bonds1

About 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane

3-ethyl-1-thia-4,9-diazaspiro[4.5]decane (PubChem CID 80500848) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-1-thia-4,9-diazaspiro[4.5]decane
PubChem CID80500848
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3-ethyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCCC1CSC2(CCCNC2)N1
InChIInChI=1S/C9H18N2S/c1-2-8-6-12-9(11-8)4-3-5-10-7-9/h8,10-11H,2-7H2,1H3
InChIKeyGAIHZGSHBBEGJB-UHFFFAOYSA-N
XLogP1.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane
CID 164646753
3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane
CID 80500491
3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane
CID 80500654
[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone
CID 169318711
7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane
CID 130555258
4-ethyl-2,2-di(propan-2-yl)-1,3-thiazolidine
CID 126978863
tert-butyl 3-ethyl-1-thia-4,7-diazaspiro[4.4]nonane-7-carboxylate
CID 131228410
3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane
CID 82717464
(3R)-1-thia-4,7-diazaspiro[4.4]nonane-3-carboxamide
CID 169318375
1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane
CID 126845342
3-tert-butyl-3-ethylpiperidine
CID 89426414
piperidin-1-yl-[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]methanone
CID 169318350

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane?
The IUPAC name of 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane (CID 80500848) is 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane is CCC1CSC2(CCCNC2)N1.
What is the InChIKey of 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane?
The InChIKey is GAIHZGSHBBEGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-8-6-12-9(11-8)4-3-5-10-7-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane?
3-ethyl-1-thia-4,9-diazaspiro[4.5]decane has a molecular weight of 186.32 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-thia-4,9-diazaspiro[4.5]decane is sourced from PubChem (CID 80500848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).