3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide

C16H20FN3O2S — CID 99852096

IUPAC3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide
SMILESCC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cn1
InChIInChI=1S/C16H20FN3O2S/c1-3-15(16-8-7-13(17)11-20-16)19-10-12-5-4-6-14(9-12)23(21,22)18-2/h4-9,11,15,18-19H,3,10H2,1-2H3/t15-/m1/s1
InChIKeyAIPUSDOIOUHFCF-OAHLLOKOSA-N
MW337.42 g/mol
LogP2.37
Rot. Bonds7

About 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide

3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide (PubChem CID 99852096) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide
PubChem CID99852096
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide
SMILESCC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cn1
InChIInChI=1S/C16H20FN3O2S/c1-3-15(16-8-7-13(17)11-20-16)19-10-12-5-4-6-14(9-12)23(21,22)18-2/h4-9,11,15,18-19H,3,10H2,1-2H3/t15-/m1/s1
InChIKeyAIPUSDOIOUHFCF-OAHLLOKOSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 115938724
N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide
CID 95624419
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79713121
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583232
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide (CID 99852096) is 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide is CC[C@@H](NCc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cn1.
What is the InChIKey of 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide?
The InChIKey is AIPUSDOIOUHFCF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-3-15(16-8-7-13(17)11-20-16)19-10-12-5-4-6-14(9-12)23(21,22)18-2/h4-9,11,15,18-19H,3,10H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide?
3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 99852096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).