N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide

C17H26N2O3S2 — CID 51128592

IUPACN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)C(C)SC)CC2)cc1
InChIInChI=1S/C17H26N2O3S2/c1-4-24(21,22)16-7-5-15(6-8-16)19-11-9-14(10-12-19)18-17(20)13(2)23-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyGWAYDAVDLFLQBX-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.32
Rot. Bonds6

About N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide (PubChem CID 51128592) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide
PubChem CID51128592
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)C(C)SC)CC2)cc1
InChIInChI=1S/C17H26N2O3S2/c1-4-24(21,22)16-7-5-15(6-8-16)19-11-9-14(10-12-19)18-17(20)13(2)23-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyGWAYDAVDLFLQBX-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Monoacetyldapsone
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4-({[4-(but-2-yn-1-ylamino)benzene]sulfonyl}methyl)-N-hydroxy-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 23625454
4-({[4-(but-2-yn-1-ylamino)benzene]sulfonyl}methyl)-N-hydroxypiperidine-4-carboxamide
CID 24860422
4-({[4-(but-2-yn-1-ylamino)benzene]sulfonyl}methyl)-N-hydroxy-1-(propane-2-sulfonyl)piperidine-4-carboxamide
CID 24860423
4-({[4-(but-2-yn-1-ylamino)benzene]sulfonyl}methyl)-N-hydroxy-1-(2-methylbutanoyl)piperidine-4-carboxamide
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CID 2236672

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide (CID 51128592) is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide is CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C(C)SC)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide?
The InChIKey is GWAYDAVDLFLQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-4-24(21,22)16-7-5-15(6-8-16)19-11-9-14(10-12-19)18-17(20)13(2)23-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide?
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide has a molecular weight of 370.54 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 51128592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).