2-methylsulfonylethyl 5-aminopyridine-2-carboxylate

C9H12N2O4S — CID 81316375

IUPAC2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
SMILESCS(=O)(=O)CCOC(=O)c1ccc(N)cn1
InChIInChI=1S/C9H12N2O4S/c1-16(13,14)5-4-15-9(12)8-3-2-7(10)6-11-8/h2-3,6H,4-5,10H2,1H3
InChIKeyTUQUZIICCDOQCS-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.13
Rot. Bonds4

About 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate

2-methylsulfonylethyl 5-aminopyridine-2-carboxylate (PubChem CID 81316375) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
PubChem CID81316375
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
SMILESCS(=O)(=O)CCOC(=O)c1ccc(N)cn1
InChIInChI=1S/C9H12N2O4S/c1-16(13,14)5-4-15-9(12)8-3-2-7(10)6-11-8/h2-3,6H,4-5,10H2,1H3
InChIKeyTUQUZIICCDOQCS-UHFFFAOYSA-N
XLogP-0.13
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butyl 5-aminopyridine-2-carboxylate
CID 81315833
5-hydroxypentyl 5-aminopyridine-2-carboxylate
CID 81315730
6-hydroxyhexyl 5-aminopyridine-2-carboxylate
CID 104934318
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
CID 81315855
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
3-(2,2,2-trifluoroethoxy)propyl 5-aminopyridine-2-carboxylate
CID 81318177
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
2-(2-oxo-1-pyridinyl)ethyl 5-aminopyridine-2-carboxylate
CID 82906963
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
CID 104934308
(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317382

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate (CID 81316375) is 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate is CS(=O)(=O)CCOC(=O)c1ccc(N)cn1.
What is the InChIKey of 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate?
The InChIKey is TUQUZIICCDOQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-16(13,14)5-4-15-9(12)8-3-2-7(10)6-11-8/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate?
2-methylsulfonylethyl 5-aminopyridine-2-carboxylate has a molecular weight of 244.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylethyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81316375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).