N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide

C11H17FN2O2S — CID 119975492

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H17FN2O2S/c1-11(2,8-13)14-17(15,16)7-9-4-3-5-10(12)6-9/h3-6,14H,7-8,13H2,1-2H3
InChIKeyIFSIEBSTEYVXIA-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.98
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide

N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 119975492) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
PubChem CID119975492
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C11H17FN2O2S/c1-11(2,8-13)14-17(15,16)7-9-4-3-5-10(12)6-9/h3-6,14H,7-8,13H2,1-2H3
InChIKeyIFSIEBSTEYVXIA-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-bromo-2-pyridinyl)oxy]-2-methylpropan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 167853183
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide
CID 119991549
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 100648391
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
N-[(3-fluorophenyl)methylsulfonyl]-3-methoxy-2,2-dimethylpropanamide
CID 167798570
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
3-[(3-fluorophenyl)methylsulfonyl]-4-methylaniline
CID 81190113

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide (CID 119975492) is N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide is CC(C)(CN)NS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is IFSIEBSTEYVXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-11(2,8-13)14-17(15,16)7-9-4-3-5-10(12)6-9/h3-6,14H,7-8,13H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 119975492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).