N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide

C10H20N4O4S2 — CID 79864992

IUPACN-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)N(C)CCS(C)(=O)=O)cn1
InChIInChI=1S/C10H20N4O4S2/c1-11-4-5-14-9-10(8-12-14)20(17,18)13(2)6-7-19(3,15)16/h8-9,11H,4-7H2,1-3H3
InChIKeyWXNAXQJURHSUSB-UHFFFAOYSA-N
MW324.43 g/mol
LogP-1.23
Rot. Bonds8

About N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide

N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide (PubChem CID 79864992) has the molecular formula C10H20N4O4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
PubChem CID79864992
Molecular FormulaC10H20N4O4S2
Molecular Weight324.43 g/mol
Exact Mass324.09
IUPAC NameN-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)N(C)CCS(C)(=O)=O)cn1
InChIInChI=1S/C10H20N4O4S2/c1-11-4-5-14-9-10(8-12-14)20(17,18)13(2)6-7-19(3,15)16/h8-9,11H,4-7H2,1-3H3
InChIKeyWXNAXQJURHSUSB-UHFFFAOYSA-N
XLogP-1.23
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 81064534
N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 102998589
1-[3-(ethylamino)propyl]-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988388
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138
1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 112667312
N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106085254
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 81067928
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775
1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 167763013
N-[2-[cyclopropyl(methyl)amino]propyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106094169

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide (CID 79864992) is N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)N(C)CCS(C)(=O)=O)cn1.
What is the InChIKey of N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide?
The InChIKey is WXNAXQJURHSUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S2/c1-11-4-5-14-9-10(8-12-14)20(17,18)13(2)6-7-19(3,15)16/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide?
N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of -1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 79864992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).