ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate

C14H20N2O5S — CID 54053940

IUPACethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1c(C)cc(S(=O)(=O)CC2CC2)c(N)c1=O
InChIInChI=1S/C14H20N2O5S/c1-3-21-12(17)7-16-9(2)6-11(13(15)14(16)18)22(19,20)8-10-4-5-10/h6,10H,3-5,7-8,15H2,1-2H3
InChIKeyLUXBOWFADACUJO-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.49
Rot. Bonds6

About ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate (PubChem CID 54053940) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate
PubChem CID54053940
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Nameethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1c(C)cc(S(=O)(=O)CC2CC2)c(N)c1=O
InChIInChI=1S/C14H20N2O5S/c1-3-21-12(17)7-16-9(2)6-11(13(15)14(16)18)22(19,20)8-10-4-5-10/h6,10H,3-5,7-8,15H2,1-2H3
InChIKeyLUXBOWFADACUJO-UHFFFAOYSA-N
XLogP0.49
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate (CID 54053940) is ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1c(C)cc(S(=O)(=O)CC2CC2)c(N)c1=O.
What is the InChIKey of ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
The InChIKey is LUXBOWFADACUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-21-12(17)7-16-9(2)6-11(13(15)14(16)18)22(19,20)8-10-4-5-10/h6,10H,3-5,7-8,15H2,1-2H3.
What are the key properties of ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate has a molecular weight of 328.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-amino-4-(cyclopropylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 54053940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).