5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid

C11H14N2O6S — CID 63850345

IUPAC5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid
SMILESNC(=O)CCS(=O)(=O)CCOc1cncc(C(=O)O)c1
InChIInChI=1S/C11H14N2O6S/c12-10(14)1-3-20(17,18)4-2-19-9-5-8(11(15)16)6-13-7-9/h5-7H,1-4H2,(H2,12,14)(H,15,16)
InChIKeyFVCZRKUMVQCPAH-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.55
Rot. Bonds8

About 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid

5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid (PubChem CID 63850345) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid
PubChem CID63850345
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid
SMILESNC(=O)CCS(=O)(=O)CCOc1cncc(C(=O)O)c1
InChIInChI=1S/C11H14N2O6S/c12-10(14)1-3-20(17,18)4-2-19-9-5-8(11(15)16)6-13-7-9/h5-7H,1-4H2,(H2,12,14)(H,15,16)
InChIKeyFVCZRKUMVQCPAH-UHFFFAOYSA-N
XLogP-0.55
TPSA136.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-butoxypyridine-3-carboxylic acid
CID 63851154
4-[2-(3-amino-3-oxopropyl)sulfonylethoxy]-3-chlorobenzoic acid
CID 61379790
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
5-[4-(dimethylamino)-4-oxobutoxy]pyridine-3-carboxylic acid
CID 63852203
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid
CID 55256220
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid (CID 63850345) is 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid is NC(=O)CCS(=O)(=O)CCOc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid?
The InChIKey is FVCZRKUMVQCPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c12-10(14)1-3-20(17,18)4-2-19-9-5-8(11(15)16)6-13-7-9/h5-7H,1-4H2,(H2,12,14)(H,15,16).
What are the key properties of 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid?
5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-amino-3-oxopropyl)sulfonylethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63850345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).