2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C17H26N2OS — CID 97370160

IUPAC2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O
InChIInChI=1S/C17H26N2OS/c1-14(2)11-19-9-6-17(16(19)20)4-7-18(8-5-17)12-15-3-10-21-13-15/h3,10,13-14H,4-9,11-12H2,1-2H3
InChIKeyGVPWDEMJGQOUBK-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.22
Rot. Bonds4

About 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370160) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370160
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O
InChIInChI=1S/C17H26N2OS/c1-14(2)11-19-9-6-17(16(19)20)4-7-18(8-5-17)12-15-3-10-21-13-15/h3,10,13-14H,4-9,11-12H2,1-2H3
InChIKeyGVPWDEMJGQOUBK-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370160) is 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GVPWDEMJGQOUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-14(2)11-19-9-6-17(16(19)20)4-7-18(8-5-17)12-15-3-10-21-13-15/h3,10,13-14H,4-9,11-12H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 306.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).