N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide

C13H21FN2O2S — CID 119991549

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H21FN2O2S/c1-13(2,9-15)10-16(3)19(17,18)8-11-5-4-6-12(14)7-11/h4-7H,8-10,15H2,1-3H3
InChIKeyRXFVEYWTLQWRDI-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.57
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide

N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide (PubChem CID 119991549) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide
PubChem CID119991549
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H21FN2O2S/c1-13(2,9-15)10-16(3)19(17,18)8-11-5-4-6-12(14)7-11/h4-7H,8-10,15H2,1-3H3
InChIKeyRXFVEYWTLQWRDI-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide
CID 119991476
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 119991751
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-(3-amino-2,2-dimethylpropyl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 120875512
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711
N-(3-amino-2,2-dimethylpropyl)-3-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 120712222
ethyl 2-[(3-fluorophenyl)methylsulfonyl-methylamino]acetate
CID 15118079
N-(1-amino-2-methylpropan-2-yl)-1-(3-fluorophenyl)methanesulfonamide
CID 119975492
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-nitrophenyl)methanesulfonamide
CID 79648197
N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-fluorophenyl)acetamide
CID 79668064

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide (CID 119991549) is N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide is CN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide?
The InChIKey is RXFVEYWTLQWRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-13(2,9-15)10-16(3)19(17,18)8-11-5-4-6-12(14)7-11/h4-7H,8-10,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 119991549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).