N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide

C11H22BrNO2S — CID 103521327

IUPACN-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C11H22BrNO2S/c1-11(2,3)7-8-16(14,15)13-10-6-4-5-9(10)12/h9-10,13H,4-8H2,1-3H3
InChIKeySXAINTQACRYUGD-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.66
Rot. Bonds4

About N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521327) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521327
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C11H22BrNO2S/c1-11(2,3)7-8-16(14,15)13-10-6-4-5-9(10)12/h9-10,13H,4-8H2,1-3H3
InChIKeySXAINTQACRYUGD-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclopentyl)-3,3-dimethylbutane-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)butane-1-sulfonamide
CID 80661541
N-(2-bromocyclopentyl)propane-1-sulfonamide
CID 80661645
N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide
CID 80661960
N-(2-bromocyclopentyl)propane-2-sulfonamide
CID 80662342
N-(2-bromocyclopentyl)ethanesulfonamide
CID 80662543
N-(2-bromocyclopentyl)cyclohexanesulfonamide
CID 80662545
N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide
CID 80662950
N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide
CID 80663045
N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide
CID 80663048
N-(2-bromocyclopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 80663049
N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide
CID 80663053
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide (CID 103521327) is N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is SXAINTQACRYUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-11(2,3)7-8-16(14,15)13-10-6-4-5-9(10)12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).