4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C11H23BrN2O3S — CID 82700863

IUPAC4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(OCCBr)CC1
InChIInChI=1S/C11H23BrN2O3S/c1-10(2)13(3)18(15,16)14-7-4-11(5-8-14)17-9-6-12/h10-11H,4-9H2,1-3H3
InChIKeyOFELJYBYSVDMMR-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.45
Rot. Bonds6

About 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide

4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 82700863) has the molecular formula C11H23BrN2O3S and a molecular weight of 343.29 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID82700863
Molecular FormulaC11H23BrN2O3S
Molecular Weight343.29 g/mol
Exact Mass342.06
IUPAC Name4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(OCCBr)CC1
InChIInChI=1S/C11H23BrN2O3S/c1-10(2)13(3)18(15,16)14-7-4-11(5-8-14)17-9-6-12/h10-11H,4-9H2,1-3H3
InChIKeyOFELJYBYSVDMMR-UHFFFAOYSA-N
XLogP1.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 82701865
3-(bromomethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 80674172
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 62075219
ethyl N-[4-(2-bromoethoxy)piperidin-1-yl]sulfonylcarbamate
CID 114466815
1-benzylsulfonyl-4-(2-bromoethoxy)piperidine
CID 82701182
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457800
N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine
CID 75375409
4-(2-bromoethoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 82689124
N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 70702982
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 82700863) is 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCC(OCCBr)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is OFELJYBYSVDMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O3S/c1-10(2)13(3)18(15,16)14-7-4-11(5-8-14)17-9-6-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 343.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 82700863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).