N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide

C12H24BrNO3S — CID 113271075

IUPACN-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CBr)CCC(C)CC1
InChIInChI=1S/C12H24BrNO3S/c1-11-4-6-12(10-13,7-5-11)14-18(15,16)9-3-8-17-2/h11,14H,3-10H2,1-2H3
InChIKeyMUYKZFRZGFNGBJ-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.29
Rot. Bonds7

About N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide

N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide (PubChem CID 113271075) has the molecular formula C12H24BrNO3S and a molecular weight of 342.30 g/mol. Its IUPAC name is N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
PubChem CID113271075
Molecular FormulaC12H24BrNO3S
Molecular Weight342.30 g/mol
Exact Mass341.07
IUPAC NameN-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CBr)CCC(C)CC1
InChIInChI=1S/C12H24BrNO3S/c1-11-4-6-12(10-13,7-5-11)14-18(15,16)9-3-8-17-2/h11,14H,3-10H2,1-2H3
InChIKeyMUYKZFRZGFNGBJ-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058253
N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide
CID 105361767
N-[(3-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
CID 106135884
N-[(3-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 106135912
N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
CID 106136142
N-[(4-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 106136167
N-[2-(bromomethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 106367665
N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
CID 106367667
N-[2-(bromomethyl)cyclohexyl]-2-ethoxyethanesulfonamide
CID 106367719
N-[1-(bromomethyl)cyclohexyl]-2-propan-2-yloxyethanesulfonamide
CID 113271038
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-ethoxyethanesulfonamide
CID 113271069
N-[1-(bromomethyl)-4-methylcyclohexyl]cyclohexanesulfonamide
CID 113271076

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide (CID 113271075) is N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1(CBr)CCC(C)CC1.
What is the InChIKey of N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is MUYKZFRZGFNGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO3S/c1-11-4-6-12(10-13,7-5-11)14-18(15,16)9-3-8-17-2/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide?
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 342.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 113271075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).