1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide

C18H27N3O5S2 — CID 126459153

IUPAC1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H27N3O5S2/c1-27(23,24)15-5-7-16(8-6-15)28(25,26)21-13-9-18(10-14-21,17(19)22)20-11-3-2-4-12-20/h5-8H,2-4,9-14H2,1H3,(H2,19,22)
InChIKeyRDUWFPLQJUJFLL-UHFFFAOYSA-N
MW429.56 g/mol
LogP0.58
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide

1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 126459153) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID126459153
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC Name1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H27N3O5S2/c1-27(23,24)15-5-7-16(8-6-15)28(25,26)21-13-9-18(10-14-21,17(19)22)20-11-3-2-4-12-20/h5-8H,2-4,9-14H2,1H3,(H2,19,22)
InChIKeyRDUWFPLQJUJFLL-UHFFFAOYSA-N
XLogP0.58
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 46966762
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 23605249
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 71794413
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62935826
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
2-(4-piperidin-1-ylsulfonylphenyl)ethanethioamide
CID 79186250
1-(4-chlorophenyl)sulfonyl-4-methylpiperidine-4-carbothioamide
CID 107161275
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 50840619
1-[4-[4-amino-4-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 137480244

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide (CID 126459153) is 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide is CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is RDUWFPLQJUJFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-27(23,24)15-5-7-16(8-6-15)28(25,26)21-13-9-18(10-14-21,17(19)22)20-11-3-2-4-12-20/h5-8H,2-4,9-14H2,1H3,(H2,19,22).
What are the key properties of 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 126459153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).