1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine

C16H26N2O3S — CID 113074890

IUPAC1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-21-14-6-8-15(9-7-14)22(19,20)18-12-10-17(11-13-18)16(2,3)4/h6-9H,5,10-13H2,1-4H3
InChIKeyFBKUQMJLUQCQEQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.19
Rot. Bonds4

About 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine

1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine (PubChem CID 113074890) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
PubChem CID113074890
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-21-14-6-8-15(9-7-14)22(19,20)18-12-10-17(11-13-18)16(2,3)4/h6-9H,5,10-13H2,1-4H3
InChIKeyFBKUQMJLUQCQEQ-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 4882768
4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708179
1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
(2S)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CID 8746787
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine (CID 113074890) is 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The InChIKey is FBKUQMJLUQCQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-21-14-6-8-15(9-7-14)22(19,20)18-12-10-17(11-13-18)16(2,3)4/h6-9H,5,10-13H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine has a molecular weight of 326.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 113074890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).