N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide

C10H20BrNO3S — CID 106367518

IUPACN-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCC1CBr
InChIInChI=1S/C10H20BrNO3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-8H2,1H3
InChIKeyUHRNYDFAWOJXNI-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.51
Rot. Bonds7

About N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide

N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide (PubChem CID 106367518) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
PubChem CID106367518
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCC1CBr
InChIInChI=1S/C10H20BrNO3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-8H2,1H3
InChIKeyUHRNYDFAWOJXNI-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide (CID 106367518) is N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The InChIKey is UHRNYDFAWOJXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide has a molecular weight of 314.25 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 106367518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).