N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide

C14H23FN2O2S — CID 84596648

IUPACN-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(CNCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2O2S/c1-11(12-5-7-13(15)8-6-12)9-16-10-14(2,3)17-20(4,18)19/h5-8,11,16-17H,9-10H2,1-4H3
InChIKeyHRSLPZLTINYBNZ-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.85
Rot. Bonds7

About N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 84596648) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID84596648
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC NameN-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(CNCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2O2S/c1-11(12-5-7-13(15)8-6-12)9-16-10-14(2,3)17-20(4,18)19/h5-8,11,16-17H,9-10H2,1-4H3
InChIKeyHRSLPZLTINYBNZ-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide
CID 63858902
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132
N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859862
N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 115968130
N-[2-methyl-1-[1-(4-methylphenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859656
N-[2-(4-fluorophenyl)propyl]-3-methylbutan-1-amine
CID 115909228
N-[1-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902045
N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline
CID 99857126
N-[1-(4-fluorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552508
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(methanesulfonamido)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111784145
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 84596648) is N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(CNCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is HRSLPZLTINYBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-11(12-5-7-13(15)8-6-12)9-16-10-14(2,3)17-20(4,18)19/h5-8,11,16-17H,9-10H2,1-4H3.
What are the key properties of N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 84596648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).