1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid

C11H22N2O5S — CID 64549713

IUPAC1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCC(C)(CO)NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H22N2O5S/c1-3-11(2,8-14)12-19(17,18)13-6-4-9(5-7-13)10(15)16/h9,12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyATCZQTNGLPGOBO-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.22
Rot. Bonds6

About 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid

1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 64549713) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID64549713
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCC(C)(CO)NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H22N2O5S/c1-3-11(2,8-14)12-19(17,18)13-6-4-9(5-7-13)10(15)16/h9,12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyATCZQTNGLPGOBO-UHFFFAOYSA-N
XLogP-0.22
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 83177957
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858440
N-(1-hydroxy-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361290
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79254218
1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid
CID 106019200
N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
CID 61136006
1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103261509
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 64549713) is 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid is CCC(C)(CO)NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is ATCZQTNGLPGOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-11(2,8-14)12-19(17,18)13-6-4-9(5-7-13)10(15)16/h9,12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 64549713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).