2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid

C14H21NO5S2 — CID 166263436

IUPAC2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid
SMILESCc1csc(C)c1S(=O)(=O)N1CCC(COCC(=O)O)CC1
InChIInChI=1S/C14H21NO5S2/c1-10-9-21-11(2)14(10)22(18,19)15-5-3-12(4-6-15)7-20-8-13(16)17/h9,12H,3-8H2,1-2H3,(H,16,17)
InChIKeyGWIAUXBLRVBZQP-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.87
Rot. Bonds6

About 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid

2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid (PubChem CID 166263436) has the molecular formula C14H21NO5S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid
PubChem CID166263436
Molecular FormulaC14H21NO5S2
Molecular Weight347.46 g/mol
Exact Mass347.09
IUPAC Name2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid
SMILESCc1csc(C)c1S(=O)(=O)N1CCC(COCC(=O)O)CC1
InChIInChI=1S/C14H21NO5S2/c1-10-9-21-11(2)14(10)22(18,19)15-5-3-12(4-6-15)7-20-8-13(16)17/h9,12H,3-8H2,1-2H3,(H,16,17)
InChIKeyGWIAUXBLRVBZQP-UHFFFAOYSA-N
XLogP1.87
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid?
The IUPAC name of 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid (CID 166263436) is 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid is Cc1csc(C)c1S(=O)(=O)N1CCC(COCC(=O)O)CC1.
What is the InChIKey of 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid?
The InChIKey is GWIAUXBLRVBZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S2/c1-10-9-21-11(2)14(10)22(18,19)15-5-3-12(4-6-15)7-20-8-13(16)17/h9,12H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid?
2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid has a molecular weight of 347.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]methoxy]acetic acid is sourced from PubChem (CID 166263436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).