N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine

C14H19FN2O2S — CID 105364098

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCS(=O)(=O)c1ccc(F)c(NC2CCN3CCC2C3)c1
InChIInChI=1S/C14H19FN2O2S/c1-20(18,19)11-2-3-12(15)14(8-11)16-13-5-7-17-6-4-10(13)9-17/h2-3,8,10,13,16H,4-7,9H2,1H3
InChIKeyYZWVSTGRSKYVBT-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.74
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364098) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364098
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCS(=O)(=O)c1ccc(F)c(NC2CCN3CCC2C3)c1
InChIInChI=1S/C14H19FN2O2S/c1-20(18,19)11-2-3-12(15)14(8-11)16-13-5-7-17-6-4-10(13)9-17/h2-3,8,10,13,16H,4-7,9H2,1H3
InChIKeyYZWVSTGRSKYVBT-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide
CID 105364190
N-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)-4-chlorophenyl]methanesulfonamide
CID 105364063
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylthiolan-3-amine
CID 114285155
N'-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-fluoro-N-hydroxy-4-methylsulfonylbenzenecarboximidamide
CID 134508428
2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105364252
N-(3,4-dimethylcyclohexyl)-2-fluoro-5-methylsulfonylaniline
CID 64734538
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methylbenzenesulfonamide
CID 43744289
N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363663
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenol
CID 105364646
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylbenzoic acid
CID 105364227
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylsulfonyl-1,2-benzoxazol-3-amine;hydrochloride
CID 134495890

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364098) is N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine is CS(=O)(=O)c1ccc(F)c(NC2CCN3CCC2C3)c1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is YZWVSTGRSKYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-20(18,19)11-2-3-12(15)14(8-11)16-13-5-7-17-6-4-10(13)9-17/h2-3,8,10,13,16H,4-7,9H2,1H3.
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 298.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).