N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide

C15H23NO3S — CID 134884368

IUPACN-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide
SMILESC=CCC(C)(CNS(=O)(=O)c1ccc(C)cc1)COC
InChIInChI=1S/C15H23NO3S/c1-5-10-15(3,12-19-4)11-16-20(17,18)14-8-6-13(2)7-9-14/h5-9,16H,1,10-12H2,2-4H3
InChIKeyRKFMYDBKSBIUIQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.50
Rot. Bonds8

About N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide

N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide (PubChem CID 134884368) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide
PubChem CID134884368
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide
SMILESC=CCC(C)(CNS(=O)(=O)c1ccc(C)cc1)COC
InChIInChI=1S/C15H23NO3S/c1-5-10-15(3,12-19-4)11-16-20(17,18)14-8-6-13(2)7-9-14/h5-9,16H,1,10-12H2,2-4H3
InChIKeyRKFMYDBKSBIUIQ-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide (CID 134884368) is N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide is C=CCC(C)(CNS(=O)(=O)c1ccc(C)cc1)COC.
What is the InChIKey of N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide?
The InChIKey is RKFMYDBKSBIUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-10-15(3,12-19-4)11-16-20(17,18)14-8-6-13(2)7-9-14/h5-9,16H,1,10-12H2,2-4H3.
What are the key properties of N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide?
N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-2-methylpent-4-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134884368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).