N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide

C15H24N2O3S — CID 38114249

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)N2CCCCC2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-13-6-7-15(12-14(13)2)20-11-8-16-21(18,19)17-9-4-3-5-10-17/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyBVILGLBHJUBQIK-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide

N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide (PubChem CID 38114249) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide
PubChem CID38114249
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)N2CCCCC2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-13-6-7-15(12-14(13)2)20-11-8-16-21(18,19)17-9-4-3-5-10-17/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyBVILGLBHJUBQIK-UHFFFAOYSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide (CID 38114249) is N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide is Cc1ccc(OCCNS(=O)(=O)N2CCCCC2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide?
The InChIKey is BVILGLBHJUBQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-6-7-15(12-14(13)2)20-11-8-16-21(18,19)17-9-4-3-5-10-17/h6-7,12,16H,3-5,8-11H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide?
N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 38114249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).