N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide

C11H22BrNO2S — CID 106170004

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

About N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide

N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide (PubChem CID 106170004) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide
PubChem CID106170004
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-3-11(2,8-9-12)13-16(14,15)10-6-4-5-7-10/h10,13H,3-9H2,1-2H3
InChIKeyIYOYMISEWPEKMX-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-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide
CID 105361768

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide (CID 106170004) is N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide is CCC(C)(CCBr)NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide?
The InChIKey is IYOYMISEWPEKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-3-11(2,8-9-12)13-16(14,15)10-6-4-5-7-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide?
N-(1-bromo-3-methylpentan-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-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide is sourced from PubChem (CID 106170004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).