3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid

C11H23N3O4S — CID 61455914

IUPAC3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H23N3O4S/c1-10(2)12(3)19(17,18)14-8-6-13(7-9-14)5-4-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyBXPPTHRWXLTUCD-UHFFFAOYSA-N
MW293.39 g/mol
LogP-0.34
Rot. Bonds6

About 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid

3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid (PubChem CID 61455914) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
PubChem CID61455914
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H23N3O4S/c1-10(2)12(3)19(17,18)14-8-6-13(7-9-14)5-4-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyBXPPTHRWXLTUCD-UHFFFAOYSA-N
XLogP-0.34
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
CID 78971806
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 61455645
3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoic acid
CID 43522466
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-[4-(2-methylbutyl)piperazin-1-yl]propanoic acid
CID 62104961
3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid
CID 114533580
4-[4-(dimethylsulfamoyl)piperazin-1-yl]sulfonylbutanoic acid
CID 60951985
3-[4-(2-tert-butylsulfonylethyl)piperazin-1-yl]propanoic acid
CID 106727406
3-[4-(3-methylbutan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61185961
tris(3-(aziridin-1-yl)propanoic acid);propane-1,1,1-triol
CID 22071895
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]acetic acid
CID 43521616

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid (CID 61455914) is 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid is CC(C)N(C)S(=O)(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is BXPPTHRWXLTUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-10(2)12(3)19(17,18)14-8-6-13(7-9-14)5-4-11(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid?
3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 293.39 g/mol, XLogP of -0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61455914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).