N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide

C14H26BrNO2S — CID 106135808

IUPACN-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCC1CCCC(Br)C1
InChIInChI=1S/C14H26BrNO2S/c15-14-8-4-7-13(9-14)10-16-19(17,18)11-12-5-2-1-3-6-12/h12-14,16H,1-11H2
InChIKeyNWSQQOBAXXOYKQ-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.44
Rot. Bonds5

About N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide

N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide (PubChem CID 106135808) has the molecular formula C14H26BrNO2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
PubChem CID106135808
Molecular FormulaC14H26BrNO2S
Molecular Weight352.34 g/mol
Exact Mass351.09
IUPAC NameN-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCC1CCCC(Br)C1
InChIInChI=1S/C14H26BrNO2S/c15-14-8-4-7-13(9-14)10-16-19(17,18)11-12-5-2-1-3-6-12/h12-14,16H,1-11H2
InChIKeyNWSQQOBAXXOYKQ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide (CID 106135808) is N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)NCC1CCCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is NWSQQOBAXXOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2S/c15-14-8-4-7-13(9-14)10-16-19(17,18)11-12-5-2-1-3-6-12/h12-14,16H,1-11H2.
What are the key properties of N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide?
N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 352.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 106135808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).