N-[1-(2-methylphenyl)propyl]methanesulfonamide

C11H17NO2S — CID 56922788

IUPACN-[1-(2-methylphenyl)propyl]methanesulfonamide
SMILESCCC(NS(C)(=O)=O)c1ccccc1C
InChIInChI=1S/C11H17NO2S/c1-4-11(12-15(3,13)14)10-8-6-5-7-9(10)2/h5-8,11-12H,4H2,1-3H3
InChIKeyBXPWEFZELHKAAG-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(2-methylphenyl)propyl]methanesulfonamide

N-[1-(2-methylphenyl)propyl]methanesulfonamide (PubChem CID 56922788) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propyl]methanesulfonamide
PubChem CID56922788
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-[1-(2-methylphenyl)propyl]methanesulfonamide
SMILESCCC(NS(C)(=O)=O)c1ccccc1C
InChIInChI=1S/C11H17NO2S/c1-4-11(12-15(3,13)14)10-8-6-5-7-9(10)2/h5-8,11-12H,4H2,1-3H3
InChIKeyBXPWEFZELHKAAG-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propyl]methanesulfonamide?
The IUPAC name of N-[1-(2-methylphenyl)propyl]methanesulfonamide (CID 56922788) is N-[1-(2-methylphenyl)propyl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-methylphenyl)propyl]methanesulfonamide?
The canonical SMILES for N-[1-(2-methylphenyl)propyl]methanesulfonamide is CCC(NS(C)(=O)=O)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)propyl]methanesulfonamide?
The InChIKey is BXPWEFZELHKAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-11(12-15(3,13)14)10-8-6-5-7-9(10)2/h5-8,11-12H,4H2,1-3H3.
What are the key properties of N-[1-(2-methylphenyl)propyl]methanesulfonamide?
N-[1-(2-methylphenyl)propyl]methanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propyl]methanesulfonamide is sourced from PubChem (CID 56922788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).