2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one

C16H24N2OS — CID 60931631

IUPAC2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCSc1ccc(CNC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-13(16(19)18-10-4-3-5-11-18)17-12-14-6-8-15(20-2)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyLZDBLWQDIAVRTJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.90
Rot. Bonds5

About 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 60931631) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID60931631
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCSc1ccc(CNC(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-13(16(19)18-10-4-3-5-11-18)17-12-14-6-8-15(20-2)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyLZDBLWQDIAVRTJ-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115579711
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
2-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 60875208
2-[(4-methylsulfanylphenyl)methylamino]propanoic acid
CID 43467247
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62997460
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889
2-[(4-prop-2-enoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615290
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 60930882
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 60931631) is 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one is CSc1ccc(CNC(C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is LZDBLWQDIAVRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13(16(19)18-10-4-3-5-11-18)17-12-14-6-8-15(20-2)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3.
What are the key properties of 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60931631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).