N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide

C12H22BrNO3S — CID 80670062

IUPACN-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide
SMILESO=S(=O)(C1CCOCC1)N(CCBr)C1CCCC1
InChIInChI=1S/C12H22BrNO3S/c13-7-8-14(11-3-1-2-4-11)18(15,16)12-5-9-17-10-6-12/h11-12H,1-10H2
InChIKeyCUHCJIDBWHUINR-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.13
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide

N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide (PubChem CID 80670062) has the molecular formula C12H22BrNO3S and a molecular weight of 340.28 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide
PubChem CID80670062
Molecular FormulaC12H22BrNO3S
Molecular Weight340.28 g/mol
Exact Mass339.05
IUPAC NameN-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide
SMILESO=S(=O)(C1CCOCC1)N(CCBr)C1CCCC1
InChIInChI=1S/C12H22BrNO3S/c13-7-8-14(11-3-1-2-4-11)18(15,16)12-5-9-17-10-6-12/h11-12H,1-10H2
InChIKeyCUHCJIDBWHUINR-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide (CID 80670062) is N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide is O=S(=O)(C1CCOCC1)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide?
The InChIKey is CUHCJIDBWHUINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO3S/c13-7-8-14(11-3-1-2-4-11)18(15,16)12-5-9-17-10-6-12/h11-12H,1-10H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide?
N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide has a molecular weight of 340.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyloxane-4-sulfonamide is sourced from PubChem (CID 80670062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).