ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate

C17H27N3O6S2 — CID 162365458

IUPACethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate
SMILESCCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCN1
InChIInChI=1S/C17H27N3O6S2/c1-4-19(5-2)27(22,23)14-7-9-15(10-8-14)28(24,25)20-12-11-18-16(13-20)17(21)26-6-3/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m1/s1
InChIKeyLECRAXFGHVXGFB-MRXNPFEDSA-N
MW433.55 g/mol
LogP0.24
Rot. Bonds8

About ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate

ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate (PubChem CID 162365458) has the molecular formula C17H27N3O6S2 and a molecular weight of 433.55 g/mol. Its IUPAC name is ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate
PubChem CID162365458
Molecular FormulaC17H27N3O6S2
Molecular Weight433.55 g/mol
Exact Mass433.13
IUPAC Nameethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate
SMILESCCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCN1
InChIInChI=1S/C17H27N3O6S2/c1-4-19(5-2)27(22,23)14-7-9-15(10-8-14)28(24,25)20-12-11-18-16(13-20)17(21)26-6-3/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m1/s1
InChIKeyLECRAXFGHVXGFB-MRXNPFEDSA-N
XLogP0.24
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 1174585
ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride
CID 22710075
bis[4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanone
CID 174594643
N,N-diethyl-4-[(3R)-3-(piperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365430
(2S)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-2-carboxylic acid
CID 136588996
N,N-diethyl-4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832180
N,N-diethyl-4-[(3R)-3-[(3S)-3-methoxypyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365431
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
CID 162365381
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate?
The IUPAC name of ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate (CID 162365458) is ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate is CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCN1.
What is the InChIKey of ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate?
The InChIKey is LECRAXFGHVXGFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O6S2/c1-4-19(5-2)27(22,23)14-7-9-15(10-8-14)28(24,25)20-12-11-18-16(13-20)17(21)26-6-3/h7-10,16,18H,4-6,11-13H2,1-3H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate?
ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate has a molecular weight of 433.55 g/mol, XLogP of 0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-[4-(diethylsulfamoyl)phenyl]sulfonylpiperazine-2-carboxylate is sourced from PubChem (CID 162365458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).