1-bromo-N-(cyclohexylmethyl)methanesulfonamide

C8H16BrNO2S — CID 83085286

IUPAC1-bromo-N-(cyclohexylmethyl)methanesulfonamide
SMILESO=S(=O)(CBr)NCC1CCCCC1
InChIInChI=1S/C8H16BrNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKeyBNQFRSKWDMTVGE-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.84
Rot. Bonds4

About 1-bromo-N-(cyclohexylmethyl)methanesulfonamide

1-bromo-N-(cyclohexylmethyl)methanesulfonamide (PubChem CID 83085286) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-bromo-N-(cyclohexylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(cyclohexylmethyl)methanesulfonamide
PubChem CID83085286
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name1-bromo-N-(cyclohexylmethyl)methanesulfonamide
SMILESO=S(=O)(CBr)NCC1CCCCC1
InChIInChI=1S/C8H16BrNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKeyBNQFRSKWDMTVGE-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.84
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 1-bromo-N-(cyclohexylmethyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(cyclohexylmethyl)methanesulfonamide (CID 83085286) is 1-bromo-N-(cyclohexylmethyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(cyclohexylmethyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(cyclohexylmethyl)methanesulfonamide is O=S(=O)(CBr)NCC1CCCCC1.
What is the InChIKey of 1-bromo-N-(cyclohexylmethyl)methanesulfonamide?
The InChIKey is BNQFRSKWDMTVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h8,10H,1-7H2.
What are the key properties of 1-bromo-N-(cyclohexylmethyl)methanesulfonamide?
1-bromo-N-(cyclohexylmethyl)methanesulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(cyclohexylmethyl)methanesulfonamide is sourced from PubChem (CID 83085286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).