1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid

C11H22N2O4S — CID 60857783

IUPAC1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCC(C)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-9(2)12(3)18(16,17)13-7-5-10(6-8-13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyVILNMNFTMBCKFV-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.76
Rot. Bonds5

About 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid

1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60857783) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60857783
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCC(C)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-4-9(2)12(3)18(16,17)13-7-5-10(6-8-13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyVILNMNFTMBCKFV-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
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-(Fluorosulfonyl)piperidine-4-carboxylic acid
CID 130225324
1-[(4-Methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxylic acid
CID 5071683
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1-(azepan-1-ylsulfonyl)piperidine-4-carboxylic Acid
CID 4641054
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-(Pentan-3-YL)piperidine-4-carboxylic acid
CID 65056092
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

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60857783) is 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid is CCC(C)N(C)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is VILNMNFTMBCKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-9(2)12(3)18(16,17)13-7-5-10(6-8-13)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 278.37 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-[butan-2-yl(methyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60857783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).