2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid

C11H17N3O4S — CID 55105621

IUPAC2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
SMILESCn1cc(S(=O)(=O)N2CCCC(CC(=O)O)C2)cn1
InChIInChI=1S/C11H17N3O4S/c1-13-8-10(6-12-13)19(17,18)14-4-2-3-9(7-14)5-11(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyYULHXQZUPJXCBQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.30
Rot. Bonds4

About 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid

2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid (PubChem CID 55105621) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
PubChem CID55105621
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
SMILESCn1cc(S(=O)(=O)N2CCCC(CC(=O)O)C2)cn1
InChIInChI=1S/C11H17N3O4S/c1-13-8-10(6-12-13)19(17,18)14-4-2-3-9(7-14)5-11(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyYULHXQZUPJXCBQ-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-yl]acetic acid
CID 62691122
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]triazole-4-carboxylic acid
CID 146134344
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63853842
(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 124553890
2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 61403798
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43511219
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid (CID 55105621) is 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid is Cn1cc(S(=O)(=O)N2CCCC(CC(=O)O)C2)cn1.
What is the InChIKey of 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid?
The InChIKey is YULHXQZUPJXCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-13-8-10(6-12-13)19(17,18)14-4-2-3-9(7-14)5-11(15)16/h6,8-9H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid?
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 55105621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).