2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide

C9H18N4O2S — CID 82872869

IUPAC2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H18N4O2S/c1-3-10-5-7-16(14,15)11-8-9-4-6-13(2)12-9/h4,6,10-11H,3,5,7-8H2,1-2H3
InChIKeyAXEWBBUIYGZBGN-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.55
Rot. Bonds7

About 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide

2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide (PubChem CID 82872869) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
PubChem CID82872869
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H18N4O2S/c1-3-10-5-7-16(14,15)11-8-9-4-6-13(2)12-9/h4,6,10-11H,3,5,7-8H2,1-2H3
InChIKeyAXEWBBUIYGZBGN-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 82881498
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
CID 81178467
2-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293643
2-(4-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872802
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872921
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide (CID 82872869) is 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide is CCNCCS(=O)(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide?
The InChIKey is AXEWBBUIYGZBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-10-5-7-16(14,15)11-8-9-4-6-13(2)12-9/h4,6,10-11H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide?
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 82872869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).