4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole

C9H16N4O3S — CID 72719662

IUPAC4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole
SMILESCN(C)S(=O)(=O)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C9H16N4O3S/c1-12(2)17(14,15)11-8-5-10-13(6-8)9-3-4-16-7-9/h5-6,9,11H,3-4,7H2,1-2H3
InChIKeyBESJFTIQCYLNFO-UHFFFAOYSA-N
MW260.32 g/mol
LogP0.06
Rot. Bonds4

About 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole

4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole (PubChem CID 72719662) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole
PubChem CID72719662
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole
SMILESCN(C)S(=O)(=O)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C9H16N4O3S/c1-12(2)17(14,15)11-8-5-10-13(6-8)9-3-4-16-7-9/h5-6,9,11H,3-4,7H2,1-2H3
InChIKeyBESJFTIQCYLNFO-UHFFFAOYSA-N
XLogP0.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole?
The IUPAC name of 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole (CID 72719662) is 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole?
The canonical SMILES for 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole is CN(C)S(=O)(=O)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole?
The InChIKey is BESJFTIQCYLNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-12(2)17(14,15)11-8-5-10-13(6-8)9-3-4-16-7-9/h5-6,9,11H,3-4,7H2,1-2H3.
What are the key properties of 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole?
4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole has a molecular weight of 260.32 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-1-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 72719662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).