3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid

C10H19N3O4S — CID 114533580

IUPAC3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C10H19N3O4S/c14-10(15)3-4-12-5-7-13(8-6-12)18(16,17)11-9-1-2-9/h9,11H,1-8H2,(H,14,15)
InChIKeyRWCNNCZRLIFHOL-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.92
Rot. Bonds6

About 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid

3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid (PubChem CID 114533580) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid
PubChem CID114533580
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C10H19N3O4S/c14-10(15)3-4-12-5-7-13(8-6-12)18(16,17)11-9-1-2-9/h9,11H,1-8H2,(H,14,15)
InChIKeyRWCNNCZRLIFHOL-UHFFFAOYSA-N
XLogP-0.92
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminobutyl)-N-cyclopropylpiperazine-1-sulfonamide
CID 114803524
4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide
CID 114803506
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]ethanimidamide
CID 114813386
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
3-[4-(2-tert-butylsulfonylethyl)piperazin-1-yl]propanoic acid
CID 106727406
3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
CID 61455914
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765924
3-[4-(2,4-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
CID 65055765
3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid
CID 138711748

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid (CID 114533580) is 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid?
The InChIKey is RWCNNCZRLIFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c14-10(15)3-4-12-5-7-13(8-6-12)18(16,17)11-9-1-2-9/h9,11H,1-8H2,(H,14,15).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid?
3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid has a molecular weight of 277.35 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 114533580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).