methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate

C10H18N4O4S — CID 104617658

IUPACmethyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate
SMILESCCc1cn[nH]c1NS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H18N4O4S/c1-4-8-7-11-12-10(8)13-19(16,17)14(2)6-5-9(15)18-3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyDNHSXNUMOONXPN-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.12
Rot. Bonds7

About methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate

methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate (PubChem CID 104617658) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate
PubChem CID104617658
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Namemethyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate
SMILESCCc1cn[nH]c1NS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H18N4O4S/c1-4-8-7-11-12-10(8)13-19(16,17)14(2)6-5-9(15)18-3/h7H,4-6H2,1-3H3,(H2,11,12,13)
InChIKeyDNHSXNUMOONXPN-UHFFFAOYSA-N
XLogP0.12
TPSA104.39 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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate (CID 104617658) is methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate is CCc1cn[nH]c1NS(=O)(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate?
The InChIKey is DNHSXNUMOONXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-4-8-7-11-12-10(8)13-19(16,17)14(2)6-5-9(15)18-3/h7H,4-6H2,1-3H3,(H2,11,12,13).
What are the key properties of methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate?
methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate has a molecular weight of 290.35 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate is sourced from PubChem (CID 104617658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).