N-[(3-bromocyclopentyl)methyl]ethanesulfonamide

C8H16BrNO2S — CID 106135058

IUPACN-[(3-bromocyclopentyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C8H16BrNO2S/c1-2-13(11,12)10-6-7-3-4-8(9)5-7/h7-8,10H,2-6H2,1H3
InChIKeyWAQOVSCJIYDTLF-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.49
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]ethanesulfonamide

N-[(3-bromocyclopentyl)methyl]ethanesulfonamide (PubChem CID 106135058) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]ethanesulfonamide
PubChem CID106135058
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC NameN-[(3-bromocyclopentyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C8H16BrNO2S/c1-2-13(11,12)10-6-7-3-4-8(9)5-7/h7-8,10H,2-6H2,1H3
InChIKeyWAQOVSCJIYDTLF-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-bromocyclopentyl)methyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-[2-(2-bromoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114145887
N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114148184
N-(cyclopentylmethyl)propane-2-sulfonamide
CID 61357018
N-(cyclopentylmethyl)ethanesulfonamide
CID 61357019
N-(cyclopentylmethyl)propane-1-sulfonamide
CID 61383865
N-(2-bromocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 80662147
N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide
CID 80663045
N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide
CID 80663053
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide
CID 105361771

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]ethanesulfonamide (CID 106135058) is N-[(3-bromocyclopentyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]ethanesulfonamide?
The InChIKey is WAQOVSCJIYDTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-2-13(11,12)10-6-7-3-4-8(9)5-7/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]ethanesulfonamide?
N-[(3-bromocyclopentyl)methyl]ethanesulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]ethanesulfonamide is sourced from PubChem (CID 106135058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).