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

C12H24BrNO2S — CID 106169823

IUPACN-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-3-12(2,9-10-13)14-17(15,16)11-7-5-4-6-8-11/h11,14H,3-10H2,1-2H3
InChIKeyONQBPKABPUNFIP-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.19
Rot. Bonds6

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

N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide (PubChem CID 106169823) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide
PubChem CID106169823
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide
SMILESCCC(C)(CCBr)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-3-12(2,9-10-13)14-17(15,16)11-7-5-4-6-8-11/h11,14H,3-10H2,1-2H3
InChIKeyONQBPKABPUNFIP-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.19
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

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-(2-methylbutan-2-yl)cyclohexanesulfonamide
CID 127283941
3-(bromomethyl)-N-tert-butylcyclohexane-1-sulfonamide
CID 145777941
N-(1,3-dibromo-2-methylpropan-2-yl)cyclohexanesulfonamide
CID 81967057
1-cyclohexyl-N-(1,3-dibromo-2-methylpropan-2-yl)methanesulfonamide
CID 81967058
N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521778
N-[3-(bromomethyl)pentan-3-yl]-3,3-dimethylbutane-1-sulfonamide
CID 103521781
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765
N-(1-bromo-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361766
N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide
CID 105361768
N-(4-bromo-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361838

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide (CID 106169823) is N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide is CCC(C)(CCBr)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide?
The InChIKey is ONQBPKABPUNFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-3-12(2,9-10-13)14-17(15,16)11-7-5-4-6-8-11/h11,14H,3-10H2,1-2H3.
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide?
N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide has a molecular weight of 326.30 g/mol, XLogP of 3.19, 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)cyclohexanesulfonamide is sourced from PubChem (CID 106169823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).