8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane

C17H28N2S — CID 64843223

IUPAC8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CN(Cc2cccs2)C2(CCCC2)CN1
InChIInChI=1S/C17H28N2S/c1-16(2,3)15-12-19(11-14-7-6-10-20-14)17(13-18-15)8-4-5-9-17/h6-7,10,15,18H,4-5,8-9,11-13H2,1-3H3
InChIKeyPQENAAZFSUCYKA-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.88
Rot. Bonds2

About 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane

8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64843223) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64843223
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)(C)C1CN(Cc2cccs2)C2(CCCC2)CN1
InChIInChI=1S/C17H28N2S/c1-16(2,3)15-12-19(11-14-7-6-10-20-14)17(13-18-15)8-4-5-9-17/h6-7,10,15,18H,4-5,8-9,11-13H2,1-3H3
InChIKeyPQENAAZFSUCYKA-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64843223) is 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane is CC(C)(C)C1CN(Cc2cccs2)C2(CCCC2)CN1.
What is the InChIKey of 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is PQENAAZFSUCYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-16(2,3)15-12-19(11-14-7-6-10-20-14)17(13-18-15)8-4-5-9-17/h6-7,10,15,18H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane?
8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 292.49 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64843223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).