N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

C13H21FN2O2S — CID 115968130

IUPACN-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1ccc(F)cc1CNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H21FN2O2S/c1-10-5-6-12(14)7-11(10)8-15-9-13(2,3)16-19(4,17)18/h5-7,15-16H,8-9H2,1-4H3
InChIKeyUZPHTMCDLXWZDS-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.55
Rot. Bonds6

About N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 115968130) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID115968130
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1ccc(F)cc1CNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H21FN2O2S/c1-10-5-6-12(14)7-11(10)8-15-9-13(2,3)16-19(4,17)18/h5-7,15-16H,8-9H2,1-4H3
InChIKeyUZPHTMCDLXWZDS-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 115968243
2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 104857334
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115968232
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 107349186
4-tert-butyl-N-[(5-fluoro-2-methylphenyl)methyl]benzenesulfonamide
CID 3673716
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
4,4,4-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]butan-1-amine
CID 113356259
N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
CID 145231296

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 115968130) is N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is Cc1ccc(F)cc1CNCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is UZPHTMCDLXWZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-10-5-6-12(14)7-11(10)8-15-9-13(2,3)16-19(4,17)18/h5-7,15-16H,8-9H2,1-4H3.
What are the key properties of N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 115968130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).