N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide

C14H23FN2O2S — CID 95309064

IUPACN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCC[C@H](C)N(C)CCNS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C14H23FN2O2S/c1-4-12(2)17(3)10-9-16-20(18,19)11-13-7-5-6-8-14(13)15/h5-8,12,16H,4,9-11H2,1-3H3/t12-/m0/s1
InChIKeyVPLWPMGUIYQHKD-LBPRGKRZSA-N
MW302.41 g/mol
LogP1.98
Rot. Bonds8

About N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide

N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 95309064) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID95309064
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCC[C@H](C)N(C)CCNS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C14H23FN2O2S/c1-4-12(2)17(3)10-9-16-20(18,19)11-13-7-5-6-8-14(13)15/h5-8,12,16H,4,9-11H2,1-3H3/t12-/m0/s1
InChIKeyVPLWPMGUIYQHKD-LBPRGKRZSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 16890483
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824821
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
CID 97087544
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 51133224
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067596
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide
CID 62641813
N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119982725
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 127508935
1-fluoro-2-(propylsulfonylmethyl)benzene
CID 18337004
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122293510

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide (CID 95309064) is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide is CC[C@H](C)N(C)CCNS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is VPLWPMGUIYQHKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-4-12(2)17(3)10-9-16-20(18,19)11-13-7-5-6-8-14(13)15/h5-8,12,16H,4,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 95309064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).