2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid

C12H19N3O5S — CID 63712750

IUPAC2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCN(CC1CCOCC1)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H19N3O5S/c1-14(7-10-2-4-20-5-3-10)21(18,19)11-6-13-15(8-11)9-12(16)17/h6,8,10H,2-5,7,9H2,1H3,(H,16,17)
InChIKeyDMJFVMLWDHQPSG-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.01
Rot. Bonds6

About 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 63712750) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID63712750
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCN(CC1CCOCC1)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H19N3O5S/c1-14(7-10-2-4-20-5-3-10)21(18,19)11-6-13-15(8-11)9-12(16)17/h6,8,10H,2-5,7,9H2,1H3,(H,16,17)
InChIKeyDMJFVMLWDHQPSG-UHFFFAOYSA-N
XLogP0.01
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 114265136
2-[4-[methyl(2-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
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2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60951551
2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43542000
2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950282
2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide
CID 63706928
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 106296983
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 63712750) is 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid is CN(CC1CCOCC1)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is DMJFVMLWDHQPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-14(7-10-2-4-20-5-3-10)21(18,19)11-6-13-15(8-11)9-12(16)17/h6,8,10H,2-5,7,9H2,1H3,(H,16,17).
What are the key properties of 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 317.37 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 63712750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).