N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide

C12H24BrNO2S — CID 103521777

IUPACN-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1CCCC1Br
InChIInChI=1S/C12H24BrNO2S/c1-12(2,3)7-8-17(15,16)14-9-10-5-4-6-11(10)13/h10-11,14H,4-9H2,1-3H3
InChIKeyAHEZUVVPNBRBPW-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.91
Rot. Bonds5

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

N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521777) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521777
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1CCCC1Br
InChIInChI=1S/C12H24BrNO2S/c1-12(2,3)7-8-17(15,16)14-9-10-5-4-6-11(10)13/h10-11,14H,4-9H2,1-3H3
InChIKeyAHEZUVVPNBRBPW-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-bromocyclopentyl)methyl]-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)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-(2-bromocyclopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521327
N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521784
N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-(4-bromo-2-ethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521804
N-(2-bromopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521841
N-(3-bromopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521842
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide
CID 105361789
N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide
CID 105361795
N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
CID 105361797
N-(2-bromo-3-methylbutyl)cyclopentanesulfonamide
CID 105361829

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide (CID 103521777) is N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC1CCCC1Br.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is AHEZUVVPNBRBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-12(2,3)7-8-17(15,16)14-9-10-5-4-6-11(10)13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 326.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).