3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid

C10H18N4O4S — CID 107462282

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid
SMILESCCc1nn(C)cc1NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H18N4O4S/c1-4-8-9(7-13(2)11-8)12-19(17,18)14(3)6-5-10(15)16/h7,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyXVCHQVNNENYJPN-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.05
Rot. Bonds7

About 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid

3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid (PubChem CID 107462282) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid
PubChem CID107462282
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid
SMILESCCc1nn(C)cc1NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H18N4O4S/c1-4-8-9(7-13(2)11-8)12-19(17,18)14(3)6-5-10(15)16/h7,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyXVCHQVNNENYJPN-UHFFFAOYSA-N
XLogP0.05
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 107464100
3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
3-[methyl(pyrimidin-5-ylsulfamoyl)amino]propanoic acid
CID 107587564
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576
1-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 107462266
N-(3-ethyl-1-methylpyrazol-4-yl)-1-(methylamino)propane-2-sulfonamide
CID 106090358
3-[tert-butyl-[(3-ethyl-1-methylpyrazol-4-yl)methyl]amino]propanoic acid
CID 112671401
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-methylamino]butanoic acid
CID 107464104
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid (CID 107462282) is 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid is CCc1nn(C)cc1NS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid?
The InChIKey is XVCHQVNNENYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-4-8-9(7-13(2)11-8)12-19(17,18)14(3)6-5-10(15)16/h7,12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid?
3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid has a molecular weight of 290.35 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 107462282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).