2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid

C11H23N3O4S — CID 43521616

IUPAC2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid
SMILESCCCCN(C)S(=O)(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H23N3O4S/c1-3-4-5-12(2)19(17,18)14-8-6-13(7-9-14)10-11(15)16/h3-10H2,1-2H3,(H,15,16)
InChIKeyRBEVIGJAQRUYNV-UHFFFAOYSA-N
MW293.39 g/mol
LogP-0.33
Rot. Bonds7

About 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid

2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid (PubChem CID 43521616) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid
PubChem CID43521616
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid
SMILESCCCCN(C)S(=O)(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H23N3O4S/c1-3-4-5-12(2)19(17,18)14-8-6-13(7-9-14)10-11(15)16/h3-10H2,1-2H3,(H,15,16)
InChIKeyRBEVIGJAQRUYNV-UHFFFAOYSA-N
XLogP-0.33
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid (CID 43521616) is 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid is CCCCN(C)S(=O)(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid?
The InChIKey is RBEVIGJAQRUYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-3-4-5-12(2)19(17,18)14-8-6-13(7-9-14)10-11(15)16/h3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid?
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid has a molecular weight of 293.39 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).