2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid

C11H17N3O4S — CID 43510995

IUPAC2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESCC1CCCN(S(=O)(=O)c2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C11H17N3O4S/c1-9-3-2-4-14(6-9)19(17,18)10-5-12-13(7-10)8-11(15)16/h5,7,9H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyXDDKQKLGJOHTPL-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.39
Rot. Bonds4

About 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid

2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid (PubChem CID 43510995) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
PubChem CID43510995
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESCC1CCCN(S(=O)(=O)c2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C11H17N3O4S/c1-9-3-2-4-14(6-9)19(17,18)10-5-12-13(7-10)8-11(15)16/h5,7,9H,2-4,6,8H2,1H3,(H,15,16)
InChIKeyXDDKQKLGJOHTPL-UHFFFAOYSA-N
XLogP0.39
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43511219
2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 61403798
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 94895656
3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 61225613
2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 146092778
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyrazol-1-yl]acetic acid
CID 43581519
1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684462
2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 79675332
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621
methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61017743
3-[4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrazol-1-yl]propanoic acid
CID 62988175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid (CID 43510995) is 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid is CC1CCCN(S(=O)(=O)c2cnn(CC(=O)O)c2)C1.
What is the InChIKey of 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is XDDKQKLGJOHTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-9-3-2-4-14(6-9)19(17,18)10-5-12-13(7-10)8-11(15)16/h5,7,9H,2-4,6,8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 43510995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).