2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid

C12H22N2O4S — CID 79717086

IUPAC2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C12H22N2O4S/c1-9(12(15)16)19(17,18)14(11-2-3-11)8-10-4-6-13-7-5-10/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyFLOWPAWUYBTJBF-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.25
Rot. Bonds6

About 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid

2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid (PubChem CID 79717086) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
PubChem CID79717086
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C12H22N2O4S/c1-9(12(15)16)19(17,18)14(11-2-3-11)8-10-4-6-13-7-5-10/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyFLOWPAWUYBTJBF-UHFFFAOYSA-N
XLogP0.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 79717240
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 61457985
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
N-cyclopropyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82843062
methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
CID 79717402
2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid
CID 66213666
N-(dipropylsulfamoyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79702592
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
4-[cyclopropylmethyl(sulfamoyl)amino]piperidine
CID 167049531
2-[ethyl(piperidin-3-ylmethyl)sulfamoyl]propanoic acid
CID 106631065

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid (CID 79717086) is 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(CC1CCNCC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid?
The InChIKey is FLOWPAWUYBTJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9(12(15)16)19(17,18)14(11-2-3-11)8-10-4-6-13-7-5-10/h9-11,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid?
2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid has a molecular weight of 290.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 79717086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).