3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane

C17H26N2S — CID 80500818

IUPAC3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane
SMILESCCC1CSC2(CCN(CCc3ccccc3)CC2)N1
InChIInChI=1S/C17H26N2S/c1-2-16-14-20-17(18-16)9-12-19(13-10-17)11-8-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3
InChIKeyFPPYMTONUFLZJP-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.14
Rot. Bonds4

About 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane

3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 80500818) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane
PubChem CID80500818
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane
SMILESCCC1CSC2(CCN(CCc3ccccc3)CC2)N1
InChIInChI=1S/C17H26N2S/c1-2-16-14-20-17(18-16)9-12-19(13-10-17)11-8-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3
InChIKeyFPPYMTONUFLZJP-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
1,4-bis(2-phenylethyl)piperidine
CID 86059939
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24857477
(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
CID 97397493

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane (CID 80500818) is 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane is CCC1CSC2(CCN(CCc3ccccc3)CC2)N1.
What is the InChIKey of 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is FPPYMTONUFLZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-16-14-20-17(18-16)9-12-19(13-10-17)11-8-15-6-4-3-5-7-15/h3-7,16,18H,2,8-14H2,1H3.
What are the key properties of 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane?
3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 290.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 80500818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).