N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride

C11H18ClFN2O2S — CID 119982725

IUPACN-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)Cc1ccccc1F.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-9(7-13)14(2)17(15,16)8-10-5-3-4-6-11(10)12;/h3-6,9H,7-8,13H2,1-2H3;1H
InChIKeyQITIKIRAOASDHG-UHFFFAOYSA-N
MW296.79 g/mol
LogP1.36
Rot. Bonds5

About N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride (PubChem CID 119982725) has the molecular formula C11H18ClFN2O2S and a molecular weight of 296.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
PubChem CID119982725
Molecular FormulaC11H18ClFN2O2S
Molecular Weight296.79 g/mol
Exact Mass296.08
IUPAC NameN-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)Cc1ccccc1F.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-9(7-13)14(2)17(15,16)8-10-5-3-4-6-11(10)12;/h3-6,9H,7-8,13H2,1-2H3;1H
InChIKeyQITIKIRAOASDHG-UHFFFAOYSA-N
XLogP1.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
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1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
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CID 95309064
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CID 18337004
1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
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CID 120506125
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
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CID 119982997

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride (CID 119982725) is N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride is CC(CN)N(C)S(=O)(=O)Cc1ccccc1F.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is QITIKIRAOASDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S.ClH/c1-9(7-13)14(2)17(15,16)8-10-5-3-4-6-11(10)12;/h3-6,9H,7-8,13H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 296.79 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119982725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).