N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide

C9H19BrN2O3S — CID 106304904

IUPACN-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCCCOCCBr)N1CCCC1
InChIInChI=1S/C9H19BrN2O3S/c10-4-9-15-8-3-5-11-16(13,14)12-6-1-2-7-12/h11H,1-9H2
InChIKeyGEHDPJAFDKJRHA-UHFFFAOYSA-N
MW315.23 g/mol
LogP0.72
Rot. Bonds8

About N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide

N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide (PubChem CID 106304904) has the molecular formula C9H19BrN2O3S and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
PubChem CID106304904
Molecular FormulaC9H19BrN2O3S
Molecular Weight315.23 g/mol
Exact Mass314.03
IUPAC NameN-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCCCOCCBr)N1CCCC1
InChIInChI=1S/C9H19BrN2O3S/c10-4-9-15-8-3-5-11-16(13,14)12-6-1-2-7-12/h11H,1-9H2
InChIKeyGEHDPJAFDKJRHA-UHFFFAOYSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
CID 131929466
N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide
CID 63869663
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
CID 94171929
N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
CID 106304856
N-(3-propoxypropyl)piperazine-1-sulfonamide
CID 82943293
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide (CID 106304904) is N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCCCOCCBr)N1CCCC1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is GEHDPJAFDKJRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2O3S/c10-4-9-15-8-3-5-11-16(13,14)12-6-1-2-7-12/h11H,1-9H2.
What are the key properties of N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide?
N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 315.23 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 106304904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).