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

C14H20N4O3S — CID 118739733

IUPAC7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)cn1
InChIInChI=1S/C14H20N4O3S/c1-16-8-11(7-15-16)18-10-14(6-13(18)19)4-5-17(9-14)22(20,21)12-2-3-12/h7-8,12H,2-6,9-10H2,1H3
InChIKeyOCFMCONIGIQMAP-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.34
Rot. Bonds3

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

7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118739733) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118739733
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)cn1
InChIInChI=1S/C14H20N4O3S/c1-16-8-11(7-15-16)18-10-14(6-13(18)19)4-5-17(9-14)22(20,21)12-2-3-12/h7-8,12H,2-6,9-10H2,1H3
InChIKeyOCFMCONIGIQMAP-UHFFFAOYSA-N
XLogP0.34
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 118739733) is 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cn1cc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)CC2=O)cn1.
What is the InChIKey of 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is OCFMCONIGIQMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-16-8-11(7-15-16)18-10-14(6-13(18)19)4-5-17(9-14)22(20,21)12-2-3-12/h7-8,12H,2-6,9-10H2,1H3.
What are the key properties of 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 324.41 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118739733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).