3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one

C9H11ClN2OS — CID 130637835

IUPAC3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccsc1Cl
InChIInChI=1S/C9H11ClN2OS/c10-8-6(3-5-14-8)12-7-2-1-4-11-9(7)13/h3,5,7,12H,1-2,4H2,(H,11,13)
InChIKeyBGAVAWCRBHOLCM-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.09
Rot. Bonds2

About 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one

3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one (PubChem CID 130637835) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one
PubChem CID130637835
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccsc1Cl
InChIInChI=1S/C9H11ClN2OS/c10-8-6(3-5-14-8)12-7-2-1-4-11-9(7)13/h3,5,7,12H,1-2,4H2,(H,11,13)
InChIKeyBGAVAWCRBHOLCM-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-oxopiperidin-3-yl)amino]benzonitrile
CID 63082095
3-(2,6-dichloroanilino)azepan-2-one
CID 65469586
3-(2-amino-4-chloro-5-fluoroanilino)piperidin-2-one
CID 66076668
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
3-(4-amino-2-fluoroanilino)piperidin-2-one
CID 62093075
3-(2,5-dichloro-4-methylanilino)azepan-2-one
CID 113445834
3-(2-iodoanilino)azepan-2-one
CID 43124817
3-(3,5-dichloroanilino)azepan-2-one
CID 43199170
3-(2-amino-3,5-difluoroanilino)piperidin-2-one
CID 113325264
3-[5-bromo-2-(trifluoromethyl)anilino]piperidin-2-one
CID 107286185
4-methyl-2-[(2-oxopiperidin-3-yl)amino]benzonitrile
CID 62309022
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one (CID 130637835) is 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one is O=C1NCCCC1Nc1ccsc1Cl.
What is the InChIKey of 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one?
The InChIKey is BGAVAWCRBHOLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-8-6(3-5-14-8)12-7-2-1-4-11-9(7)13/h3,5,7,12H,1-2,4H2,(H,11,13).
What are the key properties of 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one?
3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one has a molecular weight of 230.72 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorothiophen-3-yl)amino]piperidin-2-one is sourced from PubChem (CID 130637835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).