2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine

C10H21FN2O2S — CID 112565048

IUPAC2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
SMILESCC(F)(CN)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21FN2O2S/c1-10(11,8-12)6-9-4-3-5-13(7-9)16(2,14)15/h9H,3-8,12H2,1-2H3
InChIKeyAKGIITXBZKWYEH-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.74
Rot. Bonds4

About 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine

2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine (PubChem CID 112565048) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
PubChem CID112565048
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
SMILESCC(F)(CN)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H21FN2O2S/c1-10(11,8-12)6-9-4-3-5-13(7-9)16(2,14)15/h9H,3-8,12H2,1-2H3
InChIKeyAKGIITXBZKWYEH-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
2-fluoro-3-(1-methylsulfonylpiperidin-3-yl)-2-phenylpropan-1-amine
CID 115918066
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
ethyl 2-(aminomethyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butanoate
CID 106487613
2-hydroxy-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612929
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434
3-[2-(chloromethyl)-2-ethylbutyl]-1-methylsulfonylpiperidine
CID 79622675
(1-tert-butylsulfonylpiperidin-3-yl)methanamine
CID 63688999
2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
CID 79612453

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine (CID 112565048) is 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine is CC(F)(CN)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
The InChIKey is AKGIITXBZKWYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-10(11,8-12)6-9-4-3-5-13(7-9)16(2,14)15/h9H,3-8,12H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine?
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine has a molecular weight of 252.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine is sourced from PubChem (CID 112565048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).