7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one

C16H20N2O2S — CID 131658633

IUPAC7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2CC3(CCN(C(=O)C4CC4)C3)CC2=O)s1
InChIInChI=1S/C16H20N2O2S/c1-11-2-5-14(21-11)18-10-16(8-13(18)19)6-7-17(9-16)15(20)12-3-4-12/h2,5,12H,3-4,6-10H2,1H3
InChIKeyHGJCPSNEQNZGMG-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.42
Rot. Bonds2

About 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131658633) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131658633
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2CC3(CCN(C(=O)C4CC4)C3)CC2=O)s1
InChIInChI=1S/C16H20N2O2S/c1-11-2-5-14(21-11)18-10-16(8-13(18)19)6-7-17(9-16)15(20)12-3-4-12/h2,5,12H,3-4,6-10H2,1H3
InChIKeyHGJCPSNEQNZGMG-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
1-(5-Methylthiophen-2-yl)pyrrolidin-2-one
CID 101198751
(5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97373975
(5R)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97373976
(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373985
(5R)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373986
2-(3-Fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131652380
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
2-(5-Methylthiophen-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155834946
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

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131658633) is 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2CC3(CCN(C(=O)C4CC4)C3)CC2=O)s1.
What is the InChIKey of 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is HGJCPSNEQNZGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-2-5-14(21-11)18-10-16(8-13(18)19)6-7-17(9-16)15(20)12-3-4-12/h2,5,12H,3-4,6-10H2,1H3.
What are the key properties of 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 304.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131658633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).