N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine

C10H23NO3S — CID 62725954

IUPACN-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine
SMILESCOCCNCC(C)(C)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-10(2,5-8-15(4,12)13)9-11-6-7-14-3/h11H,5-9H2,1-4H3
InChIKeyXLJLZTKEJLMIRK-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.68
Rot. Bonds8

About N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine

N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine (PubChem CID 62725954) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine
PubChem CID62725954
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine
SMILESCOCCNCC(C)(C)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-10(2,5-8-15(4,12)13)9-11-6-7-14-3/h11H,5-9H2,1-4H3
InChIKeyXLJLZTKEJLMIRK-UHFFFAOYSA-N
XLogP0.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.68
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine (CID 62725954) is N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine is COCCNCC(C)(C)CCS(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine?
The InChIKey is XLJLZTKEJLMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-10(2,5-8-15(4,12)13)9-11-6-7-14-3/h11H,5-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine?
N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 62725954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).