1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone

C15H22N2OS — CID 119487428

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
SMILESCNC1CCCN(C(=O)CSc2ccc(C)cc2)C1
InChIInChI=1S/C15H22N2OS/c1-12-5-7-14(8-6-12)19-11-15(18)17-9-3-4-13(10-17)16-2/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyMAFXOYIRSAJUSC-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.30
Rot. Bonds4

About 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone

1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone (PubChem CID 119487428) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
PubChem CID119487428
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
SMILESCNC1CCCN(C(=O)CSc2ccc(C)cc2)C1
InChIInChI=1S/C15H22N2OS/c1-12-5-7-14(8-6-12)19-11-15(18)17-9-3-4-13(10-17)16-2/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyMAFXOYIRSAJUSC-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-3-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119493082
1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119488071
3-(4-fluorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492388
3-(4-methoxyphenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119487625
4-(4-chlorophenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488253
3-(4-methylphenyl)sulfanyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 17187440
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488419
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride
CID 119919434
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1-(2,5-dimethylphenyl)-4-[3-(methylamino)piperidin-1-yl]butane-1,4-dione
CID 119490854
2-(4-ethoxyphenyl)sulfanyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119396535
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone (CID 119487428) is 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone is CNC1CCCN(C(=O)CSc2ccc(C)cc2)C1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is MAFXOYIRSAJUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-5-7-14(8-6-12)19-11-15(18)17-9-3-4-13(10-17)16-2/h5-8,13,16H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 278.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 119487428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).