N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide

C9H18BrNO3S — CID 80667901

IUPACN-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCBr)C1CC1
InChIInChI=1S/C9H18BrNO3S/c1-2-14-7-8-15(12,13)11(6-5-10)9-3-4-9/h9H,2-8H2,1H3
InChIKeyLQXMJPNGABZKQX-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.21
Rot. Bonds8

About N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide

N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide (PubChem CID 80667901) has the molecular formula C9H18BrNO3S and a molecular weight of 300.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
PubChem CID80667901
Molecular FormulaC9H18BrNO3S
Molecular Weight300.22 g/mol
Exact Mass299.02
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)N(CCBr)C1CC1
InChIInChI=1S/C9H18BrNO3S/c1-2-14-7-8-15(12,13)11(6-5-10)9-3-4-9/h9H,2-8H2,1H3
InChIKeyLQXMJPNGABZKQX-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide (CID 80667901) is N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
The InChIKey is LQXMJPNGABZKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3S/c1-2-14-7-8-15(12,13)11(6-5-10)9-3-4-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide?
N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide has a molecular weight of 300.22 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide is sourced from PubChem (CID 80667901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).