4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide

C16H23N3O4S2 — CID 162365293

IUPAC4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C#N)C2)cc1
InChIInChI=1S/C16H23N3O4S2/c1-3-18(4-2)24(20,21)15-7-9-16(10-8-15)25(22,23)19-11-5-6-14(12-17)13-19/h7-10,14H,3-6,11,13H2,1-2H3/t14-/m0/s1
InChIKeyPASQSZHHWACUTQ-AWEZNQCLSA-N
MW385.51 g/mol
LogP1.64
Rot. Bonds6

About 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide

4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide (PubChem CID 162365293) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
PubChem CID162365293
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC Name4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C#N)C2)cc1
InChIInChI=1S/C16H23N3O4S2/c1-3-18(4-2)24(20,21)15-7-9-16(10-8-15)25(22,23)19-11-5-6-14(12-17)13-19/h7-10,14H,3-6,11,13H2,1-2H3/t14-/m0/s1
InChIKeyPASQSZHHWACUTQ-AWEZNQCLSA-N
XLogP1.64
TPSA98.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686308
N,N-diethyl-4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832180
ethyl (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 1174585
N,N-diethyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832166
N,N-diethyl-4-[(3R)-3-(piperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365430
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 162365284
4-[(3R)-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365407
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 49064767
N,N-diethyl-4-[(3R)-3-[(3S)-3-methoxypyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365431
N,N-diethyl-4-[(3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365279
1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile
CID 79373816
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
CID 162365381

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide (CID 162365293) is 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C#N)C2)cc1.
What is the InChIKey of 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide?
The InChIKey is PASQSZHHWACUTQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c1-3-18(4-2)24(20,21)15-7-9-16(10-8-15)25(22,23)19-11-5-6-14(12-17)13-19/h7-10,14H,3-6,11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide?
4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide has a molecular weight of 385.51 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 162365293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).