N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide

C22H35N3O6S2 — CID 162365511

IUPACN,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(OC)CC3)C2)cc1
InChIInChI=1S/C22H35N3O6S2/c1-4-24(5-2)32(27,28)20-8-10-21(11-9-20)33(29,30)25-14-6-7-18(17-25)22(26)23-15-12-19(31-3)13-16-23/h8-11,18-19H,4-7,12-17H2,1-3H3/t18-/m1/s1
InChIKeyOILFMWWUKPSBBG-GOSISDBHSA-N
MW501.67 g/mol
LogP1.76
Rot. Bonds8

About N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide

N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 162365511) has the molecular formula C22H35N3O6S2 and a molecular weight of 501.67 g/mol. Its IUPAC name is N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID162365511
Molecular FormulaC22H35N3O6S2
Molecular Weight501.67 g/mol
Exact Mass501.20
IUPAC NameN,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(OC)CC3)C2)cc1
InChIInChI=1S/C22H35N3O6S2/c1-4-24(5-2)32(27,28)20-8-10-21(11-9-20)33(29,30)25-14-6-7-18(17-25)22(26)23-15-12-19(31-3)13-16-23/h8-11,18-19H,4-7,12-17H2,1-3H3/t18-/m1/s1
InChIKeyOILFMWWUKPSBBG-GOSISDBHSA-N
XLogP1.76
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.67
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
(4,4-difluoropiperidin-1-yl)-[(3R)-1-(4-pentan-3-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 162365278
N,N-diethyl-4-[(3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365279
ethyl (3R)-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-carboxylate
CID 162365281
(4,4-difluoropiperidin-1-yl)-[(3R)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]sulfonylpiperidin-3-yl]methanone
CID 162365283
(4,4-difluoropiperidin-1-yl)-[(3R)-1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]sulfonylpiperidin-3-yl]methanone
CID 162365318
tert-butyl 4-[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 162365322
tert-butyl 4-[[(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 162365331
(R)-(4,4-Difluoropiperidin-1-yl)(1-((4-(isopropylsulfonyl)phenyl)sulfonyl)piperidin-3-yl)methanone
CID 162365370
N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365377
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
CID 162365381
N,N-diethyl-4-[(3R)-3-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365390

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 162365511) is N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(OC)CC3)C2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is OILFMWWUKPSBBG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H35N3O6S2/c1-4-24(5-2)32(27,28)20-8-10-21(11-9-20)33(29,30)25-14-6-7-18(17-25)22(26)23-15-12-19(31-3)13-16-23/h8-11,18-19H,4-7,12-17H2,1-3H3/t18-/m1/s1.
What are the key properties of N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 501.67 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 162365511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).