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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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).