N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide

C13H21FN2O2S — CID 100648391

IUPACN-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCC(C)C[C@H](CN)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H21FN2O2S/c1-10(2)6-13(8-15)16-19(17,18)9-11-4-3-5-12(14)7-11/h3-5,7,10,13,16H,6,8-9,15H2,1-2H3/t13-/m1/s1
InChIKeySFCSLYPRVYSUOU-CYBMUJFWSA-N
MW288.39 g/mol
LogP1.62
Rot. Bonds7

About N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide

N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 100648391) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID100648391
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCC(C)C[C@H](CN)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H21FN2O2S/c1-10(2)6-13(8-15)16-19(17,18)9-11-4-3-5-12(14)7-11/h3-5,7,10,13,16H,6,8-9,15H2,1-2H3/t13-/m1/s1
InChIKeySFCSLYPRVYSUOU-CYBMUJFWSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119585743
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
CID 119975492
1-(3-fluorophenyl)-N-[(2R)-1-(furan-3-yl)propan-2-yl]methanesulfonamide
CID 99873201
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
CID 119983405
1-(3-fluorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide;hydrochloride
CID 119964790
N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119983345
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-5-methylbenzenesulfonamide
CID 119983418
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide (CID 100648391) is N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide is CC(C)C[C@H](CN)NS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is SFCSLYPRVYSUOU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-10(2)6-13(8-15)16-19(17,18)9-11-4-3-5-12(14)7-11/h3-5,7,10,13,16H,6,8-9,15H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide?
N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-4-methylpentan-2-yl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 100648391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).