N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide

C14H24N2O2S — CID 63859656

IUPACN-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
SMILESCc1ccc(C(C)NCC(C)(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-11-6-8-13(9-7-11)12(2)15-10-14(3,4)16-19(5,17)18/h6-9,12,15-16H,10H2,1-5H3
InChIKeyAGKJRRMJBQCHFH-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.97
Rot. Bonds6

About N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide (PubChem CID 63859656) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
PubChem CID63859656
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
SMILESCc1ccc(C(C)NCC(C)(C)NS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-11-6-8-13(9-7-11)12(2)15-10-14(3,4)16-19(5,17)18/h6-9,12,15-16H,10H2,1-5H3
InChIKeyAGKJRRMJBQCHFH-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858734
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859460
2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid
CID 79624776
N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63861056
N-[3-[1-(4-methylphenyl)ethylamino]propyl]methanesulfonamide
CID 113260022
N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902046
N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide
CID 64831171
N-[1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 65197434
N-[1-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902045
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide
CID 63858902

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide (CID 63859656) is N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide is Cc1ccc(C(C)NCC(C)(C)NS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide?
The InChIKey is AGKJRRMJBQCHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11-6-8-13(9-7-11)12(2)15-10-14(3,4)16-19(5,17)18/h6-9,12,15-16H,10H2,1-5H3.
What are the key properties of N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).