N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

C14H20N2O3S2 — CID 53285254

IUPACN-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C14H20N2O3S2/c1-15-14(17)11-7-9-16(10-8-11)21(18,19)13-5-3-12(20-2)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyXNYGDBHGVBHCHW-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.56
Rot. Bonds4

About N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide

N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 53285254) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID53285254
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1
InChIInChI=1S/C14H20N2O3S2/c1-15-14(17)11-7-9-16(10-8-11)21(18,19)13-5-3-12(20-2)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyXNYGDBHGVBHCHW-UHFFFAOYSA-N
XLogP1.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-(2,4-dimethylpentan-3-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 9180026
N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935217
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 6499036
1-(4-methylsulfanylphenyl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 16935132
N-[(4-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285506
N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 99131688
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 110350788
1-(4-methylsulfanylphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 7445179
1-(4-methylsulfanylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 6472270
1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 99131679

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide (CID 53285254) is N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XNYGDBHGVBHCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-15-14(17)11-7-9-16(10-8-11)21(18,19)13-5-3-12(20-2)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide?
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53285254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).