N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide

C12H20N4O4S — CID 110335606

IUPACN,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCOCC1
InChIInChI=1S/C12H20N4O4S/c1-9-12(10(2)14-13-9)21(18,19)15(3)8-11(17)16-4-6-20-7-5-16/h4-8H2,1-3H3,(H,13,14)
InChIKeyUTKZYOQAXMMBSF-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.49
Rot. Bonds4

About N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 110335606) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide
PubChem CID110335606
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCOCC1
InChIInChI=1S/C12H20N4O4S/c1-9-12(10(2)14-13-9)21(18,19)15(3)8-11(17)16-4-6-20-7-5-16/h4-8H2,1-3H3,(H,13,14)
InChIKeyUTKZYOQAXMMBSF-UHFFFAOYSA-N
XLogP-0.49
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide (CID 110335606) is N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCOCC1.
What is the InChIKey of N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is UTKZYOQAXMMBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-9-12(10(2)14-13-9)21(18,19)15(3)8-11(17)16-4-6-20-7-5-16/h4-8H2,1-3H3,(H,13,14).
What are the key properties of N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110335606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).