2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one

C16H28N2OS — CID 107298986

IUPAC2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1CC1CCSC1
InChIInChI=1S/C16H28N2OS/c1-12(2)9-14-17-16(6-3-4-7-16)15(19)18(14)10-13-5-8-20-11-13/h12-14,17H,3-11H2,1-2H3
InChIKeyRFBIIMXBIYRROQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one

2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 107298986) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID107298986
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CC1NC2(CCCC2)C(=O)N1CC1CCSC1
InChIInChI=1S/C16H28N2OS/c1-12(2)9-14-17-16(6-3-4-7-16)15(19)18(14)10-13-5-8-20-11-13/h12-14,17H,3-11H2,1-2H3
InChIKeyRFBIIMXBIYRROQ-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107299046
3-[(2-methylcyclopentyl)methyl]-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107421436
5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270679
5-(2-methylpropyl)-6-(thiolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 103065437
3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246794
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83253151
3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104767782
5-(2-methylpropyl)-6-(oxan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256741
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 107298986) is 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one is CC(C)CC1NC2(CCCC2)C(=O)N1CC1CCSC1.
What is the InChIKey of 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is RFBIIMXBIYRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-12(2)9-14-17-16(6-3-4-7-16)15(19)18(14)10-13-5-8-20-11-13/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one?
2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 296.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 107298986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).