N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide

C11H22BrNO2S — CID 105361768

IUPACN-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide
SMILESCCC(CC)(CBr)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-3-11(4-2,9-12)13-16(14,15)10-7-5-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyHNQXFGUDZYRWIY-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.80
Rot. Bonds6

About N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide

N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide (PubChem CID 105361768) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide
PubChem CID105361768
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide
SMILESCCC(CC)(CBr)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-3-11(4-2,9-12)13-16(14,15)10-7-5-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyHNQXFGUDZYRWIY-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propanesulfonamide, 3-bromo-N-(1,1,3,3-tetramethylbutyl)-
CID 99367
N-[3-(bromomethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058401
N-(1-bromo-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106170056
N-(1,3-dibromo-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 81967252
N-(1,3-dibromo-2-methylpropan-2-yl)butane-1-sulfonamide
CID 81967570
N-(1-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521779
N-[3-(bromomethyl)pentan-3-yl]-3,3-dimethylbutane-1-sulfonamide
CID 103521781
N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521803
N-(4-bromo-2-methylbutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521846
N-(1-bromo-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361766
N-(1-bromo-3-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361772

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide (CID 105361768) is N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide is CCC(CC)(CBr)NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide?
The InChIKey is HNQXFGUDZYRWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-3-11(4-2,9-12)13-16(14,15)10-7-5-6-8-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide?
N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide is sourced from PubChem (CID 105361768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).