[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide

C12H25NO4S — CID 65010433

IUPAC[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide
SMILESCOCCOCC1(CS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C12H25NO4S/c1-16-8-9-17-10-12(11-18(13,14)15)6-4-2-3-5-7-12/h2-11H2,1H3,(H2,13,14,15)
InChIKeyINCQMESWNUSDOQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.28
Rot. Bonds7

About [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide

[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide (PubChem CID 65010433) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide
PubChem CID65010433
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide
SMILESCOCCOCC1(CS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C12H25NO4S/c1-16-8-9-17-10-12(11-18(13,14)15)6-4-2-3-5-7-12/h2-11H2,1H3,(H2,13,14,15)
InChIKeyINCQMESWNUSDOQ-UHFFFAOYSA-N
XLogP1.28
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-methylbutoxymethyl)cycloheptyl]methanesulfonamide
CID 65010385
[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 82010399
[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 65006896
[1-(cyclohexylmethoxymethyl)cycloheptyl]methanesulfonamide
CID 65009994
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
CID 103285991
[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004170
[4-[2-(2-methylpropoxy)ethoxymethyl]oxan-4-yl]methanesulfonamide
CID 106450636
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide
CID 103491018
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide?
The IUPAC name of [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide (CID 65010433) is [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide.
What is the SMILES notation for [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide?
The canonical SMILES for [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide is COCCOCC1(CS(N)(=O)=O)CCCCCC1.
What is the InChIKey of [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide?
The InChIKey is INCQMESWNUSDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-16-8-9-17-10-12(11-18(13,14)15)6-4-2-3-5-7-12/h2-11H2,1H3,(H2,13,14,15).
What are the key properties of [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide?
[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide is sourced from PubChem (CID 65010433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).