2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid

C14H27N3O4S — CID 138003681

IUPAC2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid
SMILESCCN(CC)S(=O)(=O)N1CCN(CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C14H27N3O4S/c1-3-16(4-2)22(20,21)17-9-7-15(8-10-17)12-14(5-6-14)11-13(18)19/h3-12H2,1-2H3,(H,18,19)
InChIKeyHHMVOODMOURPQL-UHFFFAOYSA-N
MW333.45 g/mol
LogP0.45
Rot. Bonds8

About 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid

2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid (PubChem CID 138003681) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid
PubChem CID138003681
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid
SMILESCCN(CC)S(=O)(=O)N1CCN(CC2(CC(=O)O)CC2)CC1
InChIInChI=1S/C14H27N3O4S/c1-3-16(4-2)22(20,21)17-9-7-15(8-10-17)12-14(5-6-14)11-13(18)19/h3-12H2,1-2H3,(H,18,19)
InChIKeyHHMVOODMOURPQL-UHFFFAOYSA-N
XLogP0.45
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid (CID 138003681) is 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid is CCN(CC)S(=O)(=O)N1CCN(CC2(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid?
The InChIKey is HHMVOODMOURPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-3-16(4-2)22(20,21)17-9-7-15(8-10-17)12-14(5-6-14)11-13(18)19/h3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid?
2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid has a molecular weight of 333.45 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(diethylsulfamoyl)piperazin-1-yl]methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 138003681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).