N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide

C12H19NO3S — CID 56920264

IUPACN-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide
SMILESCc1ccc(OCC(C)NS(C)(=O)=O)cc1C
InChIInChI=1S/C12H19NO3S/c1-9-5-6-12(7-10(9)2)16-8-11(3)13-17(4,14)15/h5-7,11,13H,8H2,1-4H3
InChIKeyCTBPLZKWJISWKA-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.62
Rot. Bonds5

About N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide

N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide (PubChem CID 56920264) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide
PubChem CID56920264
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide
SMILESCc1ccc(OCC(C)NS(C)(=O)=O)cc1C
InChIInChI=1S/C12H19NO3S/c1-9-5-6-12(7-10(9)2)16-8-11(3)13-17(4,14)15/h5-7,11,13H,8H2,1-4H3
InChIKeyCTBPLZKWJISWKA-UHFFFAOYSA-N
XLogP1.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenoxy)propan-2-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161830
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
CID 56921687
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
4-(2,2-dimethoxyethoxy)-1,2-dimethylbenzene
CID 66223394
N-[5-[1-(3,4-dimethylphenoxy)propan-2-ylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 133161502
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 133262161
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 36904254
1-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(3,4-dimethylphenyl)thiourea
CID 100752144

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide (CID 56920264) is N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide is Cc1ccc(OCC(C)NS(C)(=O)=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide?
The InChIKey is CTBPLZKWJISWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9-5-6-12(7-10(9)2)16-8-11(3)13-17(4,14)15/h5-7,11,13H,8H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide?
N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 56920264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).