(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine

C12H17FN2O2S — CID 93274616

IUPAC(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C12H17FN2O2S/c1-9-7-10(13)4-5-12(9)18(16,17)15-6-2-3-11(14)8-15/h4-5,7,11H,2-3,6,8,14H2,1H3/t11-/m1/s1
InChIKeyBBJPRMWWAMROQN-LLVKDONJSA-N
MW272.34 g/mol
LogP1.25
Rot. Bonds2

About (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine

(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine (PubChem CID 93274616) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
PubChem CID93274616
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C12H17FN2O2S/c1-9-7-10(13)4-5-12(9)18(16,17)15-6-2-3-11(14)8-15/h4-5,7,11H,2-3,6,8,14H2,1H3/t11-/m1/s1
InChIKeyBBJPRMWWAMROQN-LLVKDONJSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
CID 110605443
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
3-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)sulfonylazepane
CID 121146863
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
1-(4-fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048841
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine (CID 93274616) is (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine is Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is BBJPRMWWAMROQN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-7-10(13)4-5-12(9)18(16,17)15-6-2-3-11(14)8-15/h4-5,7,11H,2-3,6,8,14H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine?
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine has a molecular weight of 272.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 93274616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).