N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide

C7H14N4O2S — CID 102691082

IUPACN-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCNCCN(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H14N4O2S/c1-8-5-6-11(2)14(12,13)7-3-4-9-10-7/h3-4,8H,5-6H2,1-2H3,(H,9,10)
InChIKeyGXBWNXNECZHMGL-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.75
Rot. Bonds5

About N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide

N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691082) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691082
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCNCCN(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H14N4O2S/c1-8-5-6-11(2)14(12,13)7-3-4-9-10-7/h3-4,8H,5-6H2,1-2H3,(H,9,10)
InChIKeyGXBWNXNECZHMGL-UHFFFAOYSA-N
XLogP-0.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 107206389
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013
N-methyl-N-[2-(methylamino)ethyl]-1H-imidazole-5-sulfonamide;hydrochloride
CID 120718169
N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide
CID 102692275
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692091
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691846
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102693924
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693004
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690547

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide (CID 102691082) is N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide is CNCCN(C)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is GXBWNXNECZHMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-8-5-6-11(2)14(12,13)7-3-4-9-10-7/h3-4,8H,5-6H2,1-2H3,(H,9,10).
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide?
N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).