N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide

C11H17NO2S — CID 81355389

IUPACN-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C11H17NO2S/c1-4-15(13,14)12-10(3)11-7-5-9(2)6-8-11/h5-8,10,12H,4H2,1-3H3/t10-/m0/s1
InChIKeySNUGOFKEOJXLJN-JTQLQIEISA-N
MW227.33 g/mol
LogP2.00
Rot. Bonds4

About N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide

N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide (PubChem CID 81355389) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
PubChem CID81355389
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C11H17NO2S/c1-4-15(13,14)12-10(3)11-7-5-9(2)6-8-11/h5-8,10,12H,4H2,1-3H3/t10-/m0/s1
InChIKeySNUGOFKEOJXLJN-JTQLQIEISA-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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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
CID 28560656
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
CID 81357180
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
(E)-3-[4-[1-(ethylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
CID 109375021

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide (CID 81355389) is N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)N[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide?
The InChIKey is SNUGOFKEOJXLJN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-15(13,14)12-10(3)11-7-5-9(2)6-8-11/h5-8,10,12H,4H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide?
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide 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-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 81355389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).