1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

C13H18N2O5S2 — CID 31534108

IUPAC1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C13H18N2O5S2/c1-21(17,18)11-2-4-12(5-3-11)22(19,20)15-8-6-10(7-9-15)13(14)16/h2-5,10H,6-9H2,1H3,(H2,14,16)
InChIKeyHFZPTVNKXADANI-UHFFFAOYSA-N
MW346.43 g/mol
LogP-0.02
Rot. Bonds4

About 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 31534108) has the molecular formula C13H18N2O5S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID31534108
Molecular FormulaC13H18N2O5S2
Molecular Weight346.43 g/mol
Exact Mass346.07
IUPAC Name1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C13H18N2O5S2/c1-21(17,18)11-2-4-12(5-3-11)22(19,20)15-8-6-10(7-9-15)13(14)16/h2-5,10H,6-9H2,1H3,(H2,14,16)
InChIKeyHFZPTVNKXADANI-UHFFFAOYSA-N
XLogP-0.02
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3559679
1-[4-(2-chloroethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43612626
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
CID 164885708
N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935217
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 23879090
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 91681503
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (CID 31534108) is 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HFZPTVNKXADANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S2/c1-21(17,18)11-2-4-12(5-3-11)22(19,20)15-8-6-10(7-9-15)13(14)16/h2-5,10H,6-9H2,1H3,(H2,14,16).
What are the key properties of 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 31534108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).