N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide

C11H17NO4S — CID 56921687

IUPACN-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
SMILESCOc1ccccc1OCC(C)NS(C)(=O)=O
InChIInChI=1S/C11H17NO4S/c1-9(12-17(3,13)14)8-16-11-7-5-4-6-10(11)15-2/h4-7,9,12H,8H2,1-3H3
InChIKeyLPMMQIOQWMLPKD-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.01
Rot. Bonds6

About N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide

N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide (PubChem CID 56921687) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
PubChem CID56921687
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
SMILESCOc1ccccc1OCC(C)NS(C)(=O)=O
InChIInChI=1S/C11H17NO4S/c1-9(12-17(3,13)14)8-16-11-7-5-4-6-10(11)15-2/h4-7,9,12H,8H2,1-3H3
InChIKeyLPMMQIOQWMLPKD-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
N-[(2R)-1-[2-(4-methylpiperazin-1-yl)phenoxy]propan-2-yl]methanesulfonamide
CID 58817392
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate
CID 133261859
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
CID 39110010
4-[2-[2-(methanesulfonamido)propoxy]phenyl]piperazine-1-carboxylic acid
CID 18436761
N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide
CID 56920264
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine
CID 97143453

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide (CID 56921687) is N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide is COc1ccccc1OCC(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide?
The InChIKey is LPMMQIOQWMLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-9(12-17(3,13)14)8-16-11-7-5-4-6-10(11)15-2/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide?
N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 56921687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).