ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate

C20H32N2O4S — CID 84556985

IUPACethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCCCCCc1ccc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cc1
InChIInChI=1S/C20H32N2O4S/c1-3-5-6-7-8-17-9-11-19(12-10-17)27(24,25)21-18-13-15-22(16-14-18)20(23)26-4-2/h9-12,18,21H,3-8,13-16H2,1-2H3
InChIKeyLBALCEOVUPYZKI-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.71
Rot. Bonds9

About ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 84556985) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID84556985
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC Nameethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCCCCCc1ccc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cc1
InChIInChI=1S/C20H32N2O4S/c1-3-5-6-7-8-17-9-11-19(12-10-17)27(24,25)21-18-13-15-22(16-14-18)20(23)26-4-2/h9-12,18,21H,3-8,13-16H2,1-2H3
InChIKeyLBALCEOVUPYZKI-UHFFFAOYSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
CID 110413355
ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 22694953
N-(1,1-dimethylazetidin-1-ium-3-yl)-4-pentylbenzenesulfonamide
CID 68847871
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
diethyl 2-[(4-butylphenyl)sulfonylamino]propanedioate
CID 5007632

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 84556985) is ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate is CCCCCCc1ccc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cc1.
What is the InChIKey of ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is LBALCEOVUPYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-3-5-6-7-8-17-9-11-19(12-10-17)27(24,25)21-18-13-15-22(16-14-18)20(23)26-4-2/h9-12,18,21H,3-8,13-16H2,1-2H3.
What are the key properties of ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 396.55 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 84556985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).