N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide

C10H15NO3S — CID 81363887

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc([C@H](C)NS(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-8(11-15(3,12)13)9-4-6-10(14-2)7-5-9/h4-8,11H,1-3H3/t8-/m0/s1
InChIKeySAEDIYMIPHMHJO-QMMMGPOBSA-N
MW229.30 g/mol
LogP1.31
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide (PubChem CID 81363887) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
PubChem CID81363887
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc([C@H](C)NS(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-8(11-15(3,12)13)9-4-6-10(14-2)7-5-9/h4-8,11H,1-3H3/t8-/m0/s1
InChIKeySAEDIYMIPHMHJO-QMMMGPOBSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
CID 47319168
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 81370607
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide (CID 81363887) is N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide is COc1ccc([C@H](C)NS(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is SAEDIYMIPHMHJO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8(11-15(3,12)13)9-4-6-10(14-2)7-5-9/h4-8,11H,1-3H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 81363887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).