N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide

C12H24BrNO2S — CID 103969956

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-11(2)8-17(15,16)14-10-12(9-13)6-4-3-5-7-12/h11,14H,3-10H2,1-2H3
InChIKeyUHUUMGDQUSLCAQ-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.91
Rot. Bonds6

About N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide (PubChem CID 103969956) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide
PubChem CID103969956
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-11(2)8-17(15,16)14-10-12(9-13)6-4-3-5-7-12/h11,14H,3-10H2,1-2H3
InChIKeyUHUUMGDQUSLCAQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide (CID 103969956) is N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is UHUUMGDQUSLCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-11(2)8-17(15,16)14-10-12(9-13)6-4-3-5-7-12/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 326.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 103969956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).