N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide

C14H26BrNO2S — CID 113271016

IUPACN-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NC1(CBr)CCCCC1
InChIInChI=1S/C14H26BrNO2S/c15-12-14(9-5-2-6-10-14)16-19(17,18)11-13-7-3-1-4-8-13/h13,16H,1-12H2
InChIKeyBLQPMOUQHHKGDE-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.58
Rot. Bonds5

About N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide

N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide (PubChem CID 113271016) has the molecular formula C14H26BrNO2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide
PubChem CID113271016
Molecular FormulaC14H26BrNO2S
Molecular Weight352.34 g/mol
Exact Mass351.09
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NC1(CBr)CCCCC1
InChIInChI=1S/C14H26BrNO2S/c15-12-14(9-5-2-6-10-14)16-19(17,18)11-13-7-3-1-4-8-13/h13,16H,1-12H2
InChIKeyBLQPMOUQHHKGDE-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.58
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-[1-(bromomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057948
3-(bromomethyl)-N-tert-butylcyclohexane-1-sulfonamide
CID 145777941
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-[1-(bromomethyl)-3-methylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521780
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765
N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide
CID 105361767
N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 106135808
N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide
CID 106136096
N-[(4-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
CID 106136097
N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 106169825
N-[2-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide
CID 106367700

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide (CID 113271016) is N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is BLQPMOUQHHKGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2S/c15-12-14(9-5-2-6-10-14)16-19(17,18)11-13-7-3-1-4-8-13/h13,16H,1-12H2.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide?
N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 352.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 113271016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).