methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate

C11H19N3O4S — CID 104626602

IUPACmethyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCCc1ccn(C)n1
InChIInChI=1S/C11H19N3O4S/c1-14-8-6-10(13-14)5-7-12-19(16,17)9-3-4-11(15)18-2/h6,8,12H,3-5,7,9H2,1-2H3
InChIKeyDYCRVTRHSMAZQK-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.16
Rot. Bonds8

About methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate

methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate (PubChem CID 104626602) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate
PubChem CID104626602
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Namemethyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCCc1ccn(C)n1
InChIInChI=1S/C11H19N3O4S/c1-14-8-6-10(13-14)5-7-12-19(16,17)9-3-4-11(15)18-2/h6,8,12H,3-5,7,9H2,1-2H3
InChIKeyDYCRVTRHSMAZQK-UHFFFAOYSA-N
XLogP-0.16
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
CID 106104161
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
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methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
CID 61460319
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate
CID 63830812
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
methyl 4-[(1-methylpyrazol-3-yl)amino]butanoate
CID 79778979
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 82881498
methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
CID 79477880
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate (CID 104626602) is methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NCCc1ccn(C)n1.
What is the InChIKey of methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate?
The InChIKey is DYCRVTRHSMAZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-14-8-6-10(13-14)5-7-12-19(16,17)9-3-4-11(15)18-2/h6,8,12H,3-5,7,9H2,1-2H3.
What are the key properties of methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate?
methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate has a molecular weight of 289.36 g/mol, XLogP of -0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate is sourced from PubChem (CID 104626602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).