N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide

C9H18BrNO3S — CID 106135101

IUPACN-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C9H18BrNO3S/c1-14-4-5-15(12,13)11-7-8-2-3-9(10)6-8/h8-9,11H,2-7H2,1H3
InChIKeyOARNJVZGPSTJEK-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.12
Rot. Bonds6

About N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide

N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 106135101) has the molecular formula C9H18BrNO3S and a molecular weight of 300.22 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide
PubChem CID106135101
Molecular FormulaC9H18BrNO3S
Molecular Weight300.22 g/mol
Exact Mass299.02
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C9H18BrNO3S/c1-14-4-5-15(12,13)11-7-8-2-3-9(10)6-8/h8-9,11H,2-7H2,1H3
InChIKeyOARNJVZGPSTJEK-UHFFFAOYSA-N
XLogP1.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
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-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide (CID 106135101) is N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is OARNJVZGPSTJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3S/c1-14-4-5-15(12,13)11-7-8-2-3-9(10)6-8/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide?
N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 300.22 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 106135101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).