4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid

C11H14N2O3S — CID 79554034

IUPAC4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid
SMILESCCNC(=O)C(C)Sc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H14N2O3S/c1-3-12-10(14)7(2)17-8-4-5-13-9(6-8)11(15)16/h4-7H,3H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyFSJNMWSOZRBXLC-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.40
Rot. Bonds5

About 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid

4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid (PubChem CID 79554034) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid
PubChem CID79554034
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid
SMILESCCNC(=O)C(C)Sc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H14N2O3S/c1-3-12-10(14)7(2)17-8-4-5-13-9(6-8)11(15)16/h4-7H,3H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyFSJNMWSOZRBXLC-UHFFFAOYSA-N
XLogP1.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyridine-2-carboxylic acid
CID 79554308
4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid
CID 79554707
4-butan-2-ylsulfanylpyridine-2-carboxylic acid
CID 43143115
4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554887
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
2-[[2-(ethylcarbamoyl)-4-pyridinyl]sulfanyl]butanoic acid
CID 105354798
4-(1-cyanoethylsulfanyl)pyridine-2-carboxylic acid
CID 79554467
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66348230
2-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 43089209
2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpyridine-4-carboxylic acid
CID 61299327
4-[2-(butylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554876

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid (CID 79554034) is 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid is CCNC(=O)C(C)Sc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid?
The InChIKey is FSJNMWSOZRBXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-12-10(14)7(2)17-8-4-5-13-9(6-8)11(15)16/h4-7H,3H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid?
4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79554034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).