2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one

C15H22N2OS — CID 43088919

IUPAC2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCSc1ccc(NC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-12(15(18)17-10-4-3-5-11-17)16-13-6-8-14(19-2)9-7-13/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKeyDQPLIIHMYGHPGT-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one

2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43088919) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID43088919
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCSc1ccc(NC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-12(15(18)17-10-4-3-5-11-17)16-13-6-8-14(19-2)9-7-13/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKeyDQPLIIHMYGHPGT-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
5-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-fluorobenzonitrile
CID 62316286
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one (CID 43088919) is 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one is CSc1ccc(NC(C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is DQPLIIHMYGHPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12(15(18)17-10-4-3-5-11-17)16-13-6-8-14(19-2)9-7-13/h6-9,12,16H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one?
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 278.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43088919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).