2,8-dimethyl-1-thia-8-azaspiro[4.5]decane

C10H19NS — CID 58516172

IUPAC2,8-dimethyl-1-thia-8-azaspiro[4.5]decane
SMILESCC1CCC2(CCN(C)CC2)S1
InChIInChI=1S/C10H19NS/c1-9-3-4-10(12-9)5-7-11(2)8-6-10/h9H,3-8H2,1-2H3
InChIKeyONRWNYZEMTUMLS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.37
Rot. Bonds

About 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane

2,8-dimethyl-1-thia-8-azaspiro[4.5]decane (PubChem CID 58516172) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-dimethyl-1-thia-8-azaspiro[4.5]decane
PubChem CID58516172
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2,8-dimethyl-1-thia-8-azaspiro[4.5]decane
SMILESCC1CCC2(CCN(C)CC2)S1
InChIInChI=1S/C10H19NS/c1-9-3-4-10(12-9)5-7-11(2)8-6-10/h9H,3-8H2,1-2H3
InChIKeyONRWNYZEMTUMLS-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-Dimethyl-1,3-dithia-8-aza-spiro[4.5]decane
CID 13690090
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CID 11778164
4-(Cyclohexylmethyl)thiomorpholine
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2-Fluoro-6-thia-2-azaspiro[4.5]decane
CID 142603628
3-Fluoro-1-methyl-3-(4-methylsulfanylbutyl)piperidine
CID 146320602
4-(Fluoromethyl)-1-(thiolan-3-ylmethyl)piperidine
CID 167943214
1-(2-Heptylsulfanylethyl)piperidine
CID 18965281
2,3-Diethyl-8-thia-5-azoniaspiro[4.5]decane
CID 20676427
2,3-Dimethyl-6-thia-2-azaspiro[4.5]decane
CID 21054010
(3aR,7aS)-5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine
CID 54150037
4-(7-Methyloctyl)thiomorpholine
CID 59000950
4-(5-Methylhexyl)thiomorpholine
CID 59001008

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane?
The IUPAC name of 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane (CID 58516172) is 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane is CC1CCC2(CCN(C)CC2)S1.
What is the InChIKey of 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane?
The InChIKey is ONRWNYZEMTUMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9-3-4-10(12-9)5-7-11(2)8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane?
2,8-dimethyl-1-thia-8-azaspiro[4.5]decane has a molecular weight of 185.34 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 58516172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).