5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid

C10H20N2O4S — CID 57230765

IUPAC5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid
SMILESCN1CCN(S(=O)(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-11-5-7-12(8-6-11)17(15,16)9-3-2-4-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyAMHDTIYEZVTZDT-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.18
Rot. Bonds6

About 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid

5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid (PubChem CID 57230765) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid
PubChem CID57230765
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid
SMILESCN1CCN(S(=O)(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-11-5-7-12(8-6-11)17(15,16)9-3-2-4-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyAMHDTIYEZVTZDT-UHFFFAOYSA-N
XLogP-0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]sulfonylbutanoic acid
CID 43362701
5-(1-Piperidinylsulfonyl)pentanoic acid
CID 28704897
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
3-(4-Tert-butylpiperazin-1-yl)sulfonylpropanoic acid
CID 61432663
4-(4-Tert-butylpiperazin-1-yl)sulfonylbutanoic acid
CID 61432710
2-(4-Methylpiperazin-1-yl)sulfonylpropanoic acid
CID 61454252
2-Methyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoic acid
CID 18738470
4-(4-Formylpiperazine-1-sulfonyl)butanoic acid
CID 28513491
4-(4-Acetylpiperazin-1-yl)sulfonylbutanoic acid
CID 28513495

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid (CID 57230765) is 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid is CN1CCN(S(=O)(=O)CCCCC(=O)O)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid?
The InChIKey is AMHDTIYEZVTZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-11-5-7-12(8-6-11)17(15,16)9-3-2-4-10(13)14/h2-9H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid?
5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonylpentanoic acid is sourced from PubChem (CID 57230765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).