4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid

C12H24N2O4S — CID 61432710

IUPAC4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid
SMILESCC(C)(C)N1CCN(S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)13-6-8-14(9-7-13)19(17,18)10-4-5-11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyRMWBBGALBDQJOB-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.60
Rot. Bonds5

About 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid

4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid (PubChem CID 61432710) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid
PubChem CID61432710
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid
SMILESCC(C)(C)N1CCN(S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H24N2O4S/c1-12(2,3)13-6-8-14(9-7-13)19(17,18)10-4-5-11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyRMWBBGALBDQJOB-UHFFFAOYSA-N
XLogP0.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]sulfonylbutanoic acid
CID 43362701
3-(4-Ethylpiperazin-1-yl)sulfonylpropanoic acid
CID 28710097
3-[(4-methylpiperizin-1-yl)sulfonyl]-2(R)-methylpropionic acid
CID 28710109
(2S)-2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoic acid
CID 28710111
4-(4-Methylpiperazin-1-yl)sulfonylbutanoic acid
CID 28710157
2-(4-Tert-butylpiperazin-1-yl)sulfonylacetic acid
CID 55135343
5-(4-Methylpiperazin-1-yl)sulfonylpentanoic acid
CID 57230765
3-(4-Tert-butylpiperazin-1-yl)sulfonylpropanoic acid
CID 61432663
2-(4-Methylpiperazin-1-yl)sulfonylpropanoic acid
CID 61454252
2-(4-Propan-2-ylsulfonylpiperazin-1-yl)propanoic acid
CID 62311265
2-(4-Propylsulfonylpiperazin-1-yl)propanoic acid
CID 62311278
(2S)-2-amino-4-(4-methylpiperazin-1-yl)sulfonylbutanoic acid
CID 67154384

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid (CID 61432710) is 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid is CC(C)(C)N1CCN(S(=O)(=O)CCCC(=O)O)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid?
The InChIKey is RMWBBGALBDQJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,3)13-6-8-14(9-7-13)19(17,18)10-4-5-11(15)16/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid?
4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid has a molecular weight of 292.40 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 61432710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).