1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid

C12H22N2O4S — CID 60857965

IUPAC1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4S/c1-9(10-3-4-10)13(2)19(17,18)14-7-5-11(6-8-14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyOYLQJDLKFRCMAL-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.76
Rot. Bonds5

About 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid

1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60857965) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60857965
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O4S/c1-9(10-3-4-10)13(2)19(17,18)14-7-5-11(6-8-14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyOYLQJDLKFRCMAL-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Aminosulfonyl)-4-piperidinecarboxylic acid
CID 24701426
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-(azepan-1-ylsulfonyl)piperidine-4-carboxylic Acid
CID 4641054
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60891179
1-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60951307
1-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60952455
1-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61605811
1-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61605874
1-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65533847
1-[2,2-Difluoroethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 116314366

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60857965) is 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid is CC(C1CC1)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is OYLQJDLKFRCMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9(10-3-4-10)13(2)19(17,18)14-7-5-11(6-8-14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropylethyl(methyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60857965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).