N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide

C10H20BrNO3S — CID 114297606

IUPACN-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CCCCC1Br
InChIInChI=1S/C10H20BrNO3S/c1-15-6-7-16(13,14)12-8-9-4-2-3-5-10(9)11/h9-10,12H,2-8H2,1H3
InChIKeyOXGGXFHORCOVDT-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.51
Rot. Bonds6

About N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide

N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 114297606) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
PubChem CID114297606
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CCCCC1Br
InChIInChI=1S/C10H20BrNO3S/c1-15-6-7-16(13,14)12-8-9-4-2-3-5-10(9)11/h9-10,12H,2-8H2,1H3
InChIKeyOXGGXFHORCOVDT-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
N-[(2-bromocyclohexyl)methyl]propane-2-sulfonamide
CID 114297567
N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
CID 106136142
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600162
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 110309147
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600521
1-bromo-2-(methoxymethyl)cycloheptane
CID 79570808
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide
CID 114955853

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide (CID 114297606) is N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1CCCCC1Br.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is OXGGXFHORCOVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-15-6-7-16(13,14)12-8-9-4-2-3-5-10(9)11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide?
N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 314.25 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 114297606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).