(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide

C20H31N3O6S2 — CID 162365276

IUPAC(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CCOC3)C2)cc1
InChIInChI=1S/C20H31N3O6S2/c1-3-22(4-2)30(25,26)18-7-9-19(10-8-18)31(27,28)23-12-5-6-16(14-23)20(24)21-17-11-13-29-15-17/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyDVCZLISABASKDN-SJORKVTESA-N
MW473.62 g/mol
LogP1.02
Rot. Bonds8

About (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide

(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide (PubChem CID 162365276) has the molecular formula C20H31N3O6S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide
PubChem CID162365276
Molecular FormulaC20H31N3O6S2
Molecular Weight473.62 g/mol
Exact Mass473.17
IUPAC Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CCOC3)C2)cc1
InChIInChI=1S/C20H31N3O6S2/c1-3-22(4-2)30(25,26)18-7-9-19(10-8-18)31(27,28)23-12-5-6-16(14-23)20(24)21-17-11-13-29-15-17/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyDVCZLISABASKDN-SJORKVTESA-N
XLogP1.02
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214767
N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
Oxphos-IN-1
CID 162365284
tert-butyl (3S)-3-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 162365367
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
CID 162365381
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3R)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365428
N,N-diethyl-4-[(3R)-3-[(3S)-3-methoxypyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365431
tert-butyl (3R)-3-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 162365470
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid (3-methoxy-propyl)-amide
CID 3156754
1-[(4-methylphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-3-piperidinecarboxamide
CID 2955285
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1456767
N,N-diethyl-4-[(3R)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365317

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide (CID 162365276) is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CCOC3)C2)cc1.
What is the InChIKey of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide?
The InChIKey is DVCZLISABASKDN-SJORKVTESA-N. The full InChI is InChI=1S/C20H31N3O6S2/c1-3-22(4-2)30(25,26)18-7-9-19(10-8-18)31(27,28)23-12-5-6-16(14-23)20(24)21-17-11-13-29-15-17/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide?
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 162365276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).