4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole

C12H24N4O4S — CID 136557373

IUPAC4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole
SMILESCOCCN(CCOC)S(=O)(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C12H24N4O4S/c1-10-12(11(2)15-14-10)9-13-21(17,18)16(5-7-19-3)6-8-20-4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyQZUDTSVQVBAIBR-UHFFFAOYSA-N
MW320.42 g/mol
LogP-0.04
Rot. Bonds10

About 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole

4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 136557373) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole
PubChem CID136557373
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole
SMILESCOCCN(CCOC)S(=O)(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C12H24N4O4S/c1-10-12(11(2)15-14-10)9-13-21(17,18)16(5-7-19-3)6-8-20-4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyQZUDTSVQVBAIBR-UHFFFAOYSA-N
XLogP-0.04
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole (CID 136557373) is 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole is COCCN(CCOC)S(=O)(=O)NCc1c(C)n[nH]c1C.
What is the InChIKey of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is QZUDTSVQVBAIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-10-12(11(2)15-14-10)9-13-21(17,18)16(5-7-19-3)6-8-20-4/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole?
4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 320.42 g/mol, XLogP of -0.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)sulfamoylamino]methyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 136557373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).