N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide

C11H17NO4S — CID 51389866

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc(OC)c([C@@H](C)NS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO4S/c1-8(12-17(4,13)14)10-7-9(15-2)5-6-11(10)16-3/h5-8,12H,1-4H3/t8-/m1/s1
InChIKeyZXVCKBWPJDEQIH-MRVPVSSYSA-N
MW259.33 g/mol
LogP1.31
Rot. Bonds5

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide (PubChem CID 51389866) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
PubChem CID51389866
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc(OC)c([C@@H](C)NS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO4S/c1-8(12-17(4,13)14)10-7-9(15-2)5-6-11(10)16-3/h5-8,12H,1-4H3/t8-/m1/s1
InChIKeyZXVCKBWPJDEQIH-MRVPVSSYSA-N
XLogP1.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 24671593
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 7028776
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide (CID 51389866) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide is COc1ccc(OC)c([C@@H](C)NS(C)(=O)=O)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is ZXVCKBWPJDEQIH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8(12-17(4,13)14)10-7-9(15-2)5-6-11(10)16-3/h5-8,12H,1-4H3/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 51389866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).