2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid

C11H15N3O4S — CID 43521604

IUPAC2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C11H15N3O4S/c15-11(16)9-13-4-6-14(7-5-13)19(17,18)10-2-1-3-12-8-10/h1-3,8H,4-7,9H2,(H,15,16)
InChIKeyAAJFUWBUIANPBB-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.53
Rot. Bonds4

About 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid

2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid (PubChem CID 43521604) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
PubChem CID43521604
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C11H15N3O4S/c15-11(16)9-13-4-6-14(7-5-13)19(17,18)10-2-1-3-12-8-10/h1-3,8H,4-7,9H2,(H,15,16)
InChIKeyAAJFUWBUIANPBB-UHFFFAOYSA-N
XLogP-0.53
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
N-(2-cyanoethyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39012931
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
N-(2-methylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010289
1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 39010181
1-(benzenesulfonyl)-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 90483917
N-[2,6-di(propan-2-yl)phenyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010761
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63877172
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 43063731

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid (CID 43521604) is 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid is O=C(O)CN1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid?
The InChIKey is AAJFUWBUIANPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c15-11(16)9-13-4-6-14(7-5-13)19(17,18)10-2-1-3-12-8-10/h1-3,8H,4-7,9H2,(H,15,16).
What are the key properties of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid?
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid has a molecular weight of 285.32 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 43521604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).