2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide

C7H14N4O2S — CID 43663757

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide
SMILESCc1[nH]ncc1CNCCS(N)(=O)=O
InChIInChI=1S/C7H14N4O2S/c1-6-7(5-10-11-6)4-9-2-3-14(8,12)13/h5,9H,2-4H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyGWZWLSPSDJLERE-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.90
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide (PubChem CID 43663757) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide
PubChem CID43663757
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide
SMILESCc1[nH]ncc1CNCCS(N)(=O)=O
InChIInChI=1S/C7H14N4O2S/c1-6-7(5-10-11-6)4-9-2-3-14(8,12)13/h5,9H,2-4H2,1H3,(H,10,11)(H2,8,12,13)
InChIKeyGWZWLSPSDJLERE-UHFFFAOYSA-N
XLogP-0.90
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide (CID 43663757) is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide is Cc1[nH]ncc1CNCCS(N)(=O)=O.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide?
The InChIKey is GWZWLSPSDJLERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-6-7(5-10-11-6)4-9-2-3-14(8,12)13/h5,9H,2-4H2,1H3,(H,10,11)(H2,8,12,13).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide?
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 43663757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).