(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide

C17H27N3O5S2 — CID 28562303

IUPAC(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1
InChIInChI=1S/C17H27N3O5S2/c1-4-26(22,23)20-11-5-6-15(13-20)17(21)18-12-14-7-9-16(10-8-14)27(24,25)19(2)3/h7-10,15H,4-6,11-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyRNTIEUNYLNTDNQ-OAHLLOKOSA-N
MW417.55 g/mol
LogP0.61
Rot. Bonds7

About (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide

(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 28562303) has the molecular formula C17H27N3O5S2 and a molecular weight of 417.55 g/mol. Its IUPAC name is (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID28562303
Molecular FormulaC17H27N3O5S2
Molecular Weight417.55 g/mol
Exact Mass417.14
IUPAC Name(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1
InChIInChI=1S/C17H27N3O5S2/c1-4-26(22,23)20-11-5-6-15(13-20)17(21)18-12-14-7-9-16(10-8-14)27(24,25)19(2)3/h7-10,15H,4-6,11-13H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyRNTIEUNYLNTDNQ-OAHLLOKOSA-N
XLogP0.61
TPSA103.86 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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562313
(3R)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562311
(3R)-1-ethylsulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 40515569
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 94861838
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
(3S)-1-ethylsulfonyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]piperidine-3-carboxamide
CID 95194802
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861824
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
1-ethylsulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50945213
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide (CID 28562303) is (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C1.
What is the InChIKey of (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is RNTIEUNYLNTDNQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O5S2/c1-4-26(22,23)20-11-5-6-15(13-20)17(21)18-12-14-7-9-16(10-8-14)27(24,25)19(2)3/h7-10,15H,4-6,11-13H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide?
(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 28562303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).