2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide

C9H18N4O2S — CID 103008087

IUPAC2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C9H18N4O2S/c1-10-7-8-16(14,15)12-6-4-9-3-5-11-13(9)2/h3,5,10,12H,4,6-8H2,1-2H3
InChIKeyVLNPLWILYJUBAN-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.90
Rot. Bonds7

About 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide

2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 103008087) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
PubChem CID103008087
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C9H18N4O2S/c1-10-7-8-16(14,15)12-6-4-9-3-5-11-13(9)2/h3,5,10,12H,4,6-8H2,1-2H3
InChIKeyVLNPLWILYJUBAN-UHFFFAOYSA-N
XLogP-0.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 103008088
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106085796
2-(2-methylpyrazol-3-yl)ethyl methanesulfonate
CID 118545210
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate
CID 104693950
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
CID 63302413
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide (CID 103008087) is 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide is CNCCS(=O)(=O)NCCc1ccnn1C.
What is the InChIKey of 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is VLNPLWILYJUBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-10-7-8-16(14,15)12-6-4-9-3-5-11-13(9)2/h3,5,10,12H,4,6-8H2,1-2H3.
What are the key properties of 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 103008087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).