(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine

C12H17FN2O2S — CID 124573846

IUPAC(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
SMILESC[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-7-11(14)5-6-15(9)18(16,17)12-4-2-3-10(13)8-12/h2-4,8-9,11H,5-7,14H2,1H3/t9-,11+/m1/s1
InChIKeyPTDFYQYAVUWMFG-KOLCDFICSA-N
MW272.34 g/mol
LogP1.33
Rot. Bonds2

About (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine

(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine (PubChem CID 124573846) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
PubChem CID124573846
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
SMILESC[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-7-11(14)5-6-15(9)18(16,17)12-4-2-3-10(13)8-12/h2-4,8-9,11H,5-7,14H2,1H3/t9-,11+/m1/s1
InChIKeyPTDFYQYAVUWMFG-KOLCDFICSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115312594
[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783770
2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 115312519
3-(2,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62332456
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
CID 115312529
(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
CID 124591921
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
CID 126784254
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine?
The IUPAC name of (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine (CID 124573846) is (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine.
What is the SMILES notation for (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine?
The canonical SMILES for (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine is C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine?
The InChIKey is PTDFYQYAVUWMFG-KOLCDFICSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-7-11(14)5-6-15(9)18(16,17)12-4-2-3-10(13)8-12/h2-4,8-9,11H,5-7,14H2,1H3/t9-,11+/m1/s1.
What are the key properties of (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine?
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine has a molecular weight of 272.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 124573846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).