(5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

C18H26N2O2S — CID 97374150

IUPAC(5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2C[C@@]3(CCN(CC4CCOCC4)C3)CC2=O)s1
InChIInChI=1S/C18H26N2O2S/c1-14-2-3-17(23-14)20-13-18(10-16(20)21)6-7-19(12-18)11-15-4-8-22-9-5-15/h2-3,15H,4-13H2,1H3/t18-/m0/s1
InChIKeyIDWGLQFNYAIOIG-SFHVURJKSA-N
MW334.49 g/mol
LogP2.91
Rot. Bonds3

About (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

(5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374150) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374150
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2C[C@@]3(CCN(CC4CCOCC4)C3)CC2=O)s1
InChIInChI=1S/C18H26N2O2S/c1-14-2-3-17(23-14)20-13-18(10-16(20)21)6-7-19(12-18)11-15-4-8-22-9-5-15/h2-3,15H,4-13H2,1H3/t18-/m0/s1
InChIKeyIDWGLQFNYAIOIG-SFHVURJKSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one with MolForge

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Related Compounds

[2-[(5-Methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 118744154
7-(1-Fluorocyclobutanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131685204
2-(5-Methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155824640
7-(Cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155834947
7-(2-Hydroxyethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155836570
2-(5-Methylthiophen-2-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155854740
7-(Cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131643245
7-(Cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131658633
1-[2-(5-Methylthiophen-2-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carbonitrile
CID 134077502
(5S)-2-(5-methylthiophen-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374121
(5R)-2-(5-methylthiophen-2-yl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374122
(5S)-2-(5-methylthiophen-2-yl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374123

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97374150) is (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2C[C@@]3(CCN(CC4CCOCC4)C3)CC2=O)s1.
What is the InChIKey of (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is IDWGLQFNYAIOIG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-14-2-3-17(23-14)20-13-18(10-16(20)21)6-7-19(12-18)11-15-4-8-22-9-5-15/h2-3,15H,4-13H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 334.49 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).