N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide

C13H19FN2O2S — CID 116652294

IUPACN-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S/c1-16(13(8-15)11-4-5-11)19(17,18)9-10-2-6-12(14)7-3-10/h2-3,6-7,11,13H,4-5,8-9,15H2,1H3
InChIKeyGFLTXGNVKHSPAS-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.32
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide

N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide (PubChem CID 116652294) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide
PubChem CID116652294
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2S/c1-16(13(8-15)11-4-5-11)19(17,18)9-10-2-6-12(14)7-3-10/h2-3,6-7,11,13H,4-5,8-9,15H2,1H3
InChIKeyGFLTXGNVKHSPAS-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide (CID 116652294) is N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide is CN(C(CN)C1CC1)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
The InChIKey is GFLTXGNVKHSPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-16(13(8-15)11-4-5-11)19(17,18)9-10-2-6-12(14)7-3-10/h2-3,6-7,11,13H,4-5,8-9,15H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide?
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 116652294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).