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

C21H33N3O6S2 — CID 162365377

IUPACN,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(O)CC3)C2)cc1
InChIInChI=1S/C21H33N3O6S2/c1-3-23(4-2)31(27,28)19-7-9-20(10-8-19)32(29,30)24-13-5-6-17(16-24)21(26)22-14-11-18(25)12-15-22/h7-10,17-18,25H,3-6,11-16H2,1-2H3/t17-/m1/s1
InChIKeyJLKRCNREGZXBON-QGZVFWFLSA-N
MW487.64 g/mol
LogP1.10
Rot. Bonds7

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

N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 162365377) has the molecular formula C21H33N3O6S2 and a molecular weight of 487.64 g/mol. Its IUPAC name is N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID162365377
Molecular FormulaC21H33N3O6S2
Molecular Weight487.64 g/mol
Exact Mass487.18
IUPAC NameN,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(O)CC3)C2)cc1
InChIInChI=1S/C21H33N3O6S2/c1-3-23(4-2)31(27,28)19-7-9-20(10-8-19)32(29,30)24-13-5-6-17(16-24)21(26)22-14-11-18(25)12-15-22/h7-10,17-18,25H,3-6,11-16H2,1-2H3/t17-/m1/s1
InChIKeyJLKRCNREGZXBON-QGZVFWFLSA-N
XLogP1.10
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 162365377) is N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(O)CC3)C2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is JLKRCNREGZXBON-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H33N3O6S2/c1-3-23(4-2)31(27,28)19-7-9-20(10-8-19)32(29,30)24-13-5-6-17(16-24)21(26)22-14-11-18(25)12-15-22/h7-10,17-18,25H,3-6,11-16H2,1-2H3/t17-/m1/s1.
What are the key properties of N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 487.64 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3R)-3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 162365377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).