ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate

C9H12N2O2S — CID 43302195

IUPACethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
SMILESCCOC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C9H12N2O2S/c1-2-13-9(12)6-14-7-3-4-8(10)11-5-7/h3-5H,2,6H2,1H3,(H2,10,11)
InChIKeyRKNSOHJTUIGYHD-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.32
Rot. Bonds4

About ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate

ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate (PubChem CID 43302195) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
PubChem CID43302195
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Nameethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
SMILESCCOC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C9H12N2O2S/c1-2-13-9(12)6-14-7-3-4-8(10)11-5-7/h3-5H,2,6H2,1H3,(H2,10,11)
InChIKeyRKNSOHJTUIGYHD-UHFFFAOYSA-N
XLogP1.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[2-Oxo-2-(2-pyridylamino)ethyl]thio}acetic acid
CID 2825947
Ethyl 2-(pyridin-2-ylthio)acetate
CID 6464675
5-(Tert-butylthio)pyridin-2-amine hydrochloride
CID 6603337
4-(Methylsulfanyl)pyridin-2-amine
CID 9877393
3-(Ethanesulfonyl)pyridin-2-amine
CID 15324916
5-t-Butylthio-2-aminopyridine
CID 658045
Propanoic acid, 3-(2-pyridinylthio)-, ethyl ester
CID 687336
5-(Methylsulfanyl)pyridin-2-amine
CID 15179797
3-Tert-Butylsulfanyl-Pyridin-2-Ylamine
CID 17750171
5-Methanesulfonylpyridin-2-amine
CID 17861008
5-(2-Methylpropanesulfonyl)pyridin-2-amine
CID 20355448
5-Methanesulfinylpyridin-2-amine
CID 23342914

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate (CID 43302195) is ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate is CCOC(=O)CSc1ccc(N)nc1.
What is the InChIKey of ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The InChIKey is RKNSOHJTUIGYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-13-9(12)6-14-7-3-4-8(10)11-5-7/h3-5H,2,6H2,1H3,(H2,10,11).
What are the key properties of ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate has a molecular weight of 212.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate is sourced from PubChem (CID 43302195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).