N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide

C11H23NO2S — CID 155198964

IUPACN-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide
SMILESC=C(C)C(C)(CCCC)CNS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-6-7-8-11(4,10(2)3)9-12-15(5,13)14/h12H,2,6-9H2,1,3-5H3
InChIKeyMBYZUQDWVWTDCD-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.31
Rot. Bonds7

About N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide

N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide (PubChem CID 155198964) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide
PubChem CID155198964
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide
SMILESC=C(C)C(C)(CCCC)CNS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-6-7-8-11(4,10(2)3)9-12-15(5,13)14/h12H,2,6-9H2,1,3-5H3
InChIKeyMBYZUQDWVWTDCD-UHFFFAOYSA-N
XLogP2.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide?
The IUPAC name of N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide (CID 155198964) is N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide is C=C(C)C(C)(CCCC)CNS(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide?
The InChIKey is MBYZUQDWVWTDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-7-8-11(4,10(2)3)9-12-15(5,13)14/h12H,2,6-9H2,1,3-5H3.
What are the key properties of N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide?
N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-prop-1-en-2-ylhexyl)methanesulfonamide is sourced from PubChem (CID 155198964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).