(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide

C17H27N3O5S2 — CID 129419068

IUPAC(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1
InChIInChI=1S/C17H27N3O5S2/c1-4-19(5-2)26(22,23)15-8-10-16(11-9-15)27(24,25)20-12-14(17(18)21)7-6-13(20)3/h8-11,13-14H,4-7,12H2,1-3H3,(H2,18,21)/t13-,14-/m1/s1
InChIKeyUFAGBTFZOCCFAP-ZIAGYGMSSA-N
MW417.55 g/mol
LogP0.99
Rot. Bonds7

About (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide

(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide (PubChem CID 129419068) has the molecular formula C17H27N3O5S2 and a molecular weight of 417.55 g/mol. Its IUPAC name is (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide
PubChem CID129419068
Molecular FormulaC17H27N3O5S2
Molecular Weight417.55 g/mol
Exact Mass417.14
IUPAC Name(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1
InChIInChI=1S/C17H27N3O5S2/c1-4-19(5-2)26(22,23)15-8-10-16(11-9-15)27(24,25)20-12-14(17(18)21)7-6-13(20)3/h8-11,13-14H,4-7,12H2,1-3H3,(H2,18,21)/t13-,14-/m1/s1
InChIKeyUFAGBTFZOCCFAP-ZIAGYGMSSA-N
XLogP0.99
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-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

(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
6-methyl-1-(4-propylsulfonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122104625
6-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 47268283
(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
CID 3226861
1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 106266279
(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
ethyl (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 1174585
1-(5-cyanothiophen-2-yl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 106267798
1-(2-amino-5-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 61139549
4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2316598
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide (CID 129419068) is (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1.
What is the InChIKey of (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide?
The InChIKey is UFAGBTFZOCCFAP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N3O5S2/c1-4-19(5-2)26(22,23)15-8-10-16(11-9-15)27(24,25)20-12-14(17(18)21)7-6-13(20)3/h8-11,13-14H,4-7,12H2,1-3H3,(H2,18,21)/t13-,14-/m1/s1.
What are the key properties of (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 129419068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).