N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide

C12H22BrNO2S — CID 80674447

IUPACN-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide
SMILESCN(CC1CC(Br)C1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H22BrNO2S/c1-14(9-10-7-11(13)8-10)17(15,16)12-5-3-2-4-6-12/h10-12H,2-9H2,1H3
InChIKeyDZDYCYZIGCRFQZ-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.75
Rot. Bonds4

About N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide

N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide (PubChem CID 80674447) has the molecular formula C12H22BrNO2S and a molecular weight of 324.28 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide
PubChem CID80674447
Molecular FormulaC12H22BrNO2S
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide
SMILESCN(CC1CC(Br)C1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H22BrNO2S/c1-14(9-10-7-11(13)8-10)17(15,16)12-5-3-2-4-6-12/h10-12H,2-9H2,1H3
InChIKeyDZDYCYZIGCRFQZ-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-methylcyclopentanesulfonamide
CID 83701794
N-[(3-bromocyclobutyl)methyl]-N,2,2-trimethylpropane-1-sulfonamide
CID 80674564
N-(cyclopentylmethyl)-N-methylpiperidine-3-sulfonamide
CID 63656754
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylbutane-1-sulfonamide
CID 80675003
N-(3-aminopropyl)-N-methylcyclohexanesulfonamide
CID 61065457
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833
3-[cyclohexylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 55008516
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
N-methyl-N-(oxan-4-ylmethyl)piperidine-4-sulfonamide
CID 55225683
cycloheptanesulfonyl bromide
CID 22935869
2-[cyclopentylsulfonyl(methyl)amino]ethanimidamide
CID 105361938

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide (CID 80674447) is N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide is CN(CC1CC(Br)C1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide?
The InChIKey is DZDYCYZIGCRFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2S/c1-14(9-10-7-11(13)8-10)17(15,16)12-5-3-2-4-6-12/h10-12H,2-9H2,1H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide?
N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide has a molecular weight of 324.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide is sourced from PubChem (CID 80674447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).