2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide

C9H18N4O2S — CID 102675063

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCc1cnn(C)c1C
InChIInChI=1S/C9H18N4O2S/c1-8-9(7-12-13(8)3)6-11-4-5-16(14,15)10-2/h7,10-11H,4-6H2,1-3H3
InChIKeyBUAARTFTYHZJQG-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.63
Rot. Bonds6

About 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide (PubChem CID 102675063) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
PubChem CID102675063
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCc1cnn(C)c1C
InChIInChI=1S/C9H18N4O2S/c1-8-9(7-12-13(8)3)6-11-4-5-16(14,15)10-2/h7,10-11H,4-6H2,1-3H3
InChIKeyBUAARTFTYHZJQG-UHFFFAOYSA-N
XLogP-0.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.63
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-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103851304
2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106094917
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79578880

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide (CID 102675063) is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNCc1cnn(C)c1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide?
The InChIKey is BUAARTFTYHZJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-8-9(7-12-13(8)3)6-11-4-5-16(14,15)10-2/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide?
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide is sourced from PubChem (CID 102675063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).