2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid

C12H22N2O3S — CID 104569665

IUPAC2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
SMILESCC(CNC(=O)CSCC(=O)O)N1CCCCC1
InChIInChI=1S/C12H22N2O3S/c1-10(14-5-3-2-4-6-14)7-13-11(15)8-18-9-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)
InChIKeyNZIXPUAJHRJIOF-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.79
Rot. Bonds7

About 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid

2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid (PubChem CID 104569665) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
PubChem CID104569665
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
SMILESCC(CNC(=O)CSCC(=O)O)N1CCCCC1
InChIInChI=1S/C12H22N2O3S/c1-10(14-5-3-2-4-6-14)7-13-11(15)8-18-9-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)
InChIKeyNZIXPUAJHRJIOF-UHFFFAOYSA-N
XLogP0.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylacetic acid
CID 16795839
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
2-pyrrolidin-1-ylpropylurea
CID 112728366
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid
CID 115577333
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
CID 61018467
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid
CID 62827708

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid (CID 104569665) is 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid is CC(CNC(=O)CSCC(=O)O)N1CCCCC1.
What is the InChIKey of 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid?
The InChIKey is NZIXPUAJHRJIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10(14-5-3-2-4-6-14)7-13-11(15)8-18-9-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid?
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid has a molecular weight of 274.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid is sourced from PubChem (CID 104569665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).