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

C10H16N4O4S — CID 61403798

IUPAC2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESNC1CCCN(S(=O)(=O)c2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C10H16N4O4S/c11-8-2-1-3-14(5-8)19(17,18)9-4-12-13(6-9)7-10(15)16/h4,6,8H,1-3,5,7,11H2,(H,15,16)
InChIKeyMWCHUXBHJRNZMO-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.92
Rot. Bonds4

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

2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid (PubChem CID 61403798) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
PubChem CID61403798
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
SMILESNC1CCCN(S(=O)(=O)c2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C10H16N4O4S/c11-8-2-1-3-14(5-8)19(17,18)9-4-12-13(6-9)7-10(15)16/h4,6,8H,1-3,5,7,11H2,(H,15,16)
InChIKeyMWCHUXBHJRNZMO-UHFFFAOYSA-N
XLogP-0.92
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-hydroxypiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43511219
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 94895656
2-[4-[3-(triazol-1-yl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetic acid
CID 146092778
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyrazol-1-yl]acetic acid
CID 43581519
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
3-[4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propanoic acid
CID 61225613
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008
2-[4-(3-aminopiperidin-1-yl)sulfonyl-3,5-dimethylpyrazol-1-yl]acetic acid
CID 61403799
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-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid (CID 61403798) is 2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid is NC1CCCN(S(=O)(=O)c2cnn(CC(=O)O)c2)C1.
What is the InChIKey of 2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
The InChIKey is MWCHUXBHJRNZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c11-8-2-1-3-14(5-8)19(17,18)9-4-12-13(6-9)7-10(15)16/h4,6,8H,1-3,5,7,11H2,(H,15,16).
What are the key properties of 2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid?
2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid has a molecular weight of 288.33 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 61403798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).