4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid

C15H22N2O4S — CID 69166315

IUPAC4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
SMILESCC(C)c1ccccc1S(=O)(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4S/c1-11(2)13-5-3-4-6-14(13)22(20,21)16-12-7-9-17(10-8-12)15(18)19/h3-6,11-12,16H,7-10H2,1-2H3,(H,18,19)
InChIKeyQDNLWCIJSGIZKL-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.23
Rot. Bonds4

About 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid

4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid (PubChem CID 69166315) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
PubChem CID69166315
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
SMILESCC(C)c1ccccc1S(=O)(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4S/c1-11(2)13-5-3-4-6-14(13)22(20,21)16-12-7-9-17(10-8-12)15(18)19/h3-6,11-12,16H,7-10H2,1-2H3,(H,18,19)
InChIKeyQDNLWCIJSGIZKL-UHFFFAOYSA-N
XLogP2.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfonyl)-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-propan-2-ylbenzenesulfonamide
CID 57430598
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25024474
2-[2-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571930
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 55220897
2-(2-chloro-4-methylpentan-3-yl)-N-cyclopropylbenzenesulfonamide
CID 63205165
4-[(9-fluoro-6,11,11-trioxo-3-propan-2-yl-5H-benzo[b][1,4]benzothiazepin-2-yl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166613
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid (CID 69166315) is 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid is CC(C)c1ccccc1S(=O)(=O)NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid?
The InChIKey is QDNLWCIJSGIZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(2)13-5-3-4-6-14(13)22(20,21)16-12-7-9-17(10-8-12)15(18)19/h3-6,11-12,16H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid?
4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid has a molecular weight of 326.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 69166315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).