3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine

C9H12F2N2O2S — CID 169034286

IUPAC3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine
SMILESCNCCC(F)(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C9H12F2N2O2S/c1-12-7-5-9(10,11)16(14,15)8-4-2-3-6-13-8/h2-4,6,12H,5,7H2,1H3
InChIKeyPDNSVBYRWVWFHX-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.06
Rot. Bonds5

About 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine

3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine (PubChem CID 169034286) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine
PubChem CID169034286
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC Name3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine
SMILESCNCCC(F)(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C9H12F2N2O2S/c1-12-7-5-9(10,11)16(14,15)8-4-2-3-6-13-8/h2-4,6,12H,5,7H2,1H3
InChIKeyPDNSVBYRWVWFHX-UHFFFAOYSA-N
XLogP1.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide
CID 169034299
2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine
CID 169034295
N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide
CID 169034296
N-methyl-2-pyridin-2-ylsulfonylethanamine
CID 71130386
2-(tribromomethylsulfonyl)pyridine
CID 159318212
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
N-propylpyridine-2-sulfonamide
CID 91182516
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
CID 134863771
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
2,2-dimethyl-3-pyridin-2-ylsulfonylpropanoic acid
CID 116853081
pyridin-2-ylsulfonylthiourea
CID 19808514

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine?
The IUPAC name of 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine (CID 169034286) is 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine is CNCCC(F)(F)S(=O)(=O)c1ccccn1.
What is the InChIKey of 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine?
The InChIKey is PDNSVBYRWVWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-12-7-5-9(10,11)16(14,15)8-4-2-3-6-13-8/h2-4,6,12H,5,7H2,1H3.
What are the key properties of 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine?
3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine has a molecular weight of 250.27 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine is sourced from PubChem (CID 169034286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).