2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one

C14H22N4O3S — CID 118739402

IUPAC2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESCCCS(=O)(=O)N1CCC2(CC(=O)N(c3cnn(C)c3)C2)C1
InChIInChI=1S/C14H22N4O3S/c1-3-6-22(20,21)17-5-4-14(10-17)7-13(19)18(11-14)12-8-15-16(2)9-12/h8-9H,3-7,10-11H2,1-2H3
InChIKeyAWVMKWSWLOPDNT-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.59
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one

2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118739402) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118739402
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
SMILESCCCS(=O)(=O)N1CCC2(CC(=O)N(c3cnn(C)c3)C2)C1
InChIInChI=1S/C14H22N4O3S/c1-3-6-22(20,21)17-5-4-14(10-17)7-13(19)18(11-14)12-8-15-16(2)9-12/h8-9H,3-7,10-11H2,1-2H3
InChIKeyAWVMKWSWLOPDNT-UHFFFAOYSA-N
XLogP0.59
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,6aR)-2-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376773
(3aR,6aR)-2-cyclopropylsulfonyl-5-(1-methylpyrazol-4-yl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376774
7-Ethylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739399
2-(1-Methylpyrazol-4-yl)-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739400
7-Cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118739730
7-Cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739733
7-(Cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118743412
6-Methyl-9-(1-methylpyrazol-4-yl)-2-propylsulfonyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118744238
7-(2-Hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131641152
(5S)-7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 129547167
(5R)-7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 129547168
7-(1-Fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682051

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one (CID 118739402) is 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is CCCS(=O)(=O)N1CCC2(CC(=O)N(c3cnn(C)c3)C2)C1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is AWVMKWSWLOPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-3-6-22(20,21)17-5-4-14(10-17)7-13(19)18(11-14)12-8-15-16(2)9-12/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one?
2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 326.42 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118739402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).