N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide

C10H20BrNO2S — CID 106134990

IUPACN-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C10H20BrNO2S/c1-2-3-6-15(13,14)12-8-9-4-5-10(11)7-9/h9-10,12H,2-8H2,1H3
InChIKeyVZQIVLMZHCZPIP-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.27
Rot. Bonds6

About N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide

N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide (PubChem CID 106134990) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide
PubChem CID106134990
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C10H20BrNO2S/c1-2-3-6-15(13,14)12-8-9-4-5-10(11)7-9/h9-10,12H,2-8H2,1H3
InChIKeyVZQIVLMZHCZPIP-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.27
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]butane-1-sulfonamide 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]butane-1-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide (CID 106134990) is N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide?
The InChIKey is VZQIVLMZHCZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-2-3-6-15(13,14)12-8-9-4-5-10(11)7-9/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide?
N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106134990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).