3-amino-1-thiophen-3-ylpiperidin-2-one

C9H12N2OS — CID 66355839

IUPAC3-amino-1-thiophen-3-ylpiperidin-2-one
SMILESNC1CCCN(c2ccsc2)C1=O
InChIInChI=1S/C9H12N2OS/c10-8-2-1-4-11(9(8)12)7-3-5-13-6-7/h3,5-6,8H,1-2,4,10H2
InChIKeyDFDNHKMIRSYZSG-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.20
Rot. Bonds1

About 3-amino-1-thiophen-3-ylpiperidin-2-one

3-amino-1-thiophen-3-ylpiperidin-2-one (PubChem CID 66355839) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 3-amino-1-thiophen-3-ylpiperidin-2-one.

Molecular Properties

Compound Name3-amino-1-thiophen-3-ylpiperidin-2-one
PubChem CID66355839
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name3-amino-1-thiophen-3-ylpiperidin-2-one
SMILESNC1CCCN(c2ccsc2)C1=O
InChIInChI=1S/C9H12N2OS/c10-8-2-1-4-11(9(8)12)7-3-5-13-6-7/h3,5-6,8H,1-2,4,10H2
InChIKeyDFDNHKMIRSYZSG-UHFFFAOYSA-N
XLogP1.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[methyl(thiophen-3-yl)amino]piperidin-2-one
CID 164634297
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CID 120350061
4,4-difluoro-N-thiophen-3-ylpyrrolidine-2-carboxamide
CID 120350062
(2R,4S)-4-fluoro-N-thiophen-3-ylpyrrolidine-2-carboxamide
CID 120469359
2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide
CID 130164843
N-(2-aminoethyl)-N-thiophen-3-ylacetamide
CID 18761095
3-(Methylamino)-1-thiophen-3-ylazepan-2-one
CID 20589809
6-Methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 20590135
7-Methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 20590271
1-Thiophen-3-ylpiperazin-2-one
CID 67084859
1-(Thiophen-3-yl)piperazin-2-one hydrochloride
CID 67085002
3-amino-N-thiophen-3-ylpentanamide
CID 67781338

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-thiophen-3-ylpiperidin-2-one?
The IUPAC name of 3-amino-1-thiophen-3-ylpiperidin-2-one (CID 66355839) is 3-amino-1-thiophen-3-ylpiperidin-2-one.
What is the SMILES notation for 3-amino-1-thiophen-3-ylpiperidin-2-one?
The canonical SMILES for 3-amino-1-thiophen-3-ylpiperidin-2-one is NC1CCCN(c2ccsc2)C1=O.
What is the InChIKey of 3-amino-1-thiophen-3-ylpiperidin-2-one?
The InChIKey is DFDNHKMIRSYZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-8-2-1-4-11(9(8)12)7-3-5-13-6-7/h3,5-6,8H,1-2,4,10H2.
What are the key properties of 3-amino-1-thiophen-3-ylpiperidin-2-one?
3-amino-1-thiophen-3-ylpiperidin-2-one has a molecular weight of 196.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-thiophen-3-ylpiperidin-2-one is sourced from PubChem (CID 66355839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).