3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one

C14H20N2OS — CID 62094294

IUPAC3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one
SMILESCSc1ccc(C(C)NC2CCCNC2=O)cc1
InChIInChI=1S/C14H20N2OS/c1-10(11-5-7-12(18-2)8-6-11)16-13-4-3-9-15-14(13)17/h5-8,10,13,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyHDGXDJQDBPJFTD-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.34
Rot. Bonds4

About 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one

3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one (PubChem CID 62094294) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one
PubChem CID62094294
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one
SMILESCSc1ccc(C(C)NC2CCCNC2=O)cc1
InChIInChI=1S/C14H20N2OS/c1-10(11-5-7-12(18-2)8-6-11)16-13-4-3-9-15-14(13)17/h5-8,10,13,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyHDGXDJQDBPJFTD-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]azepan-2-one
CID 81347826
3-(1-pyridin-4-ylethylamino)piperidin-2-one
CID 62094103
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]azepan-2-one
CID 81360127
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]azepan-2-one
CID 81354601
[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
CID 62093224
3-(1-naphthalen-2-ylethylamino)piperidin-2-one
CID 62092100
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
CID 62093203
3-[1-(3,4-dichlorophenyl)ethylamino]azepan-2-one
CID 43234796
3-[1-(4-chloro-3-fluorophenyl)ethylamino]azepan-2-one
CID 82888994
3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
CID 55033727
3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one
CID 62094095

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one?
The IUPAC name of 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one (CID 62094294) is 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one.
What is the SMILES notation for 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one?
The canonical SMILES for 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one is CSc1ccc(C(C)NC2CCCNC2=O)cc1.
What is the InChIKey of 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one?
The InChIKey is HDGXDJQDBPJFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(11-5-7-12(18-2)8-6-11)16-13-4-3-9-15-14(13)17/h5-8,10,13,16H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one?
3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one has a molecular weight of 264.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one is sourced from PubChem (CID 62094294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).