(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide

C18H28N4O5S2 — CID 93487555

IUPAC(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H28N4O5S2/c1-20(2)29(26,27)22-13-5-6-15(14-22)18(23)19-16-7-9-17(10-8-16)28(24,25)21-11-3-4-12-21/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyNMEGLCQUYDTDPI-OAHLLOKOSA-N
MW444.58 g/mol
LogP0.93
Rot. Bonds6

About (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide

(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide (PubChem CID 93487555) has the molecular formula C18H28N4O5S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
PubChem CID93487555
Molecular FormulaC18H28N4O5S2
Molecular Weight444.58 g/mol
Exact Mass444.15
IUPAC Name(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H28N4O5S2/c1-20(2)29(26,27)22-13-5-6-15(14-22)18(23)19-16-7-9-17(10-8-16)28(24,25)21-11-3-4-12-21/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyNMEGLCQUYDTDPI-OAHLLOKOSA-N
XLogP0.93
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850
(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 99939714
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43905127
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide (CID 93487555) is (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1.
What is the InChIKey of (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide?
The InChIKey is NMEGLCQUYDTDPI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O5S2/c1-20(2)29(26,27)22-13-5-6-15(14-22)18(23)19-16-7-9-17(10-8-16)28(24,25)21-11-3-4-12-21/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide?
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93487555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).