(5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C20H24N2O3S — CID 95200464

IUPAC(5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(C(=O)CC3=C(c4cccs4)CCC3=O)C2)C1=O
InChIInChI=1S/C20H24N2O3S/c1-21-9-3-7-20(19(21)25)8-10-22(13-20)18(24)12-15-14(5-6-16(15)23)17-4-2-11-26-17/h2,4,11H,3,5-10,12-13H2,1H3/t20-/m0/s1
InChIKeyDMXIVOQVBDLVPQ-FQEVSTJZSA-N
MW372.49 g/mol
LogP2.73
Rot. Bonds3

About (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95200464) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95200464
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(C(=O)CC3=C(c4cccs4)CCC3=O)C2)C1=O
InChIInChI=1S/C20H24N2O3S/c1-21-9-3-7-20(19(21)25)8-10-22(13-20)18(24)12-15-14(5-6-16(15)23)17-4-2-11-26-17/h2,4,11H,3,5-10,12-13H2,1H3/t20-/m0/s1
InChIKeyDMXIVOQVBDLVPQ-FQEVSTJZSA-N
XLogP2.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-3-thiophen-2-ylcyclopent-2-en-1-one
CID 133121900
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CID 42291921
2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56751168
7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 56755645
(5S)-7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95221008
7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922240
7-methyl-2-(1-phenylcyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907513
7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 169211424
4-methyl-2-[2-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]phthalazin-1-one
CID 97137178

Frequently Asked Questions

What is the IUPAC name of (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 95200464) is (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@@]2(CCN(C(=O)CC3=C(c4cccs4)CCC3=O)C2)C1=O.
What is the InChIKey of (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DMXIVOQVBDLVPQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-21-9-3-7-20(19(21)25)8-10-22(13-20)18(24)12-15-14(5-6-16(15)23)17-4-2-11-26-17/h2,4,11H,3,5-10,12-13H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.49 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methyl-2-[2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95200464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).