N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide

C12H19NO2S — CID 30404884

IUPACN-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide
SMILESCc1cc(C)c([C@H](C)NS(C)(=O)=O)cc1C
InChIInChI=1S/C12H19NO2S/c1-8-6-10(3)12(7-9(8)2)11(4)13-16(5,14)15/h6-7,11,13H,1-5H3/t11-/m0/s1
InChIKeyXZARZVYUGZDWOW-NSHDSACASA-N
MW241.36 g/mol
LogP2.22
Rot. Bonds3

About N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide

N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide (PubChem CID 30404884) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide
PubChem CID30404884
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide
SMILESCc1cc(C)c([C@H](C)NS(C)(=O)=O)cc1C
InChIInChI=1S/C12H19NO2S/c1-8-6-10(3)12(7-9(8)2)11(4)13-16(5,14)15/h6-7,11,13H,1-5H3/t11-/m0/s1
InChIKeyXZARZVYUGZDWOW-NSHDSACASA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404849
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217876
2-nitro-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217921
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268
N-[4-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 133217936
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30464802
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
N-[1-(2-iodophenyl)ethyl]methanesulfonamide
CID 68735534
3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404935

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide (CID 30404884) is N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide is Cc1cc(C)c([C@H](C)NS(C)(=O)=O)cc1C.
What is the InChIKey of N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide?
The InChIKey is XZARZVYUGZDWOW-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8-6-10(3)12(7-9(8)2)11(4)13-16(5,14)15/h6-7,11,13H,1-5H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide?
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 30404884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).