(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine

C12H17FN2O2S — CID 28716223

IUPAC(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine
SMILESNCc1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H17FN2O2S/c13-11-5-4-10(9-14)8-12(11)18(16,17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,14H2
InChIKeyYFSJKZDFANXYML-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.46
Rot. Bonds3

About (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine

(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine (PubChem CID 28716223) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine
PubChem CID28716223
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine
SMILESNCc1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H17FN2O2S/c13-11-5-4-10(9-14)8-12(11)18(16,17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,14H2
InChIKeyYFSJKZDFANXYML-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine?
The IUPAC name of (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine (CID 28716223) is (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine is NCc1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine?
The InChIKey is YFSJKZDFANXYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-11-5-4-10(9-14)8-12(11)18(16,17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,14H2.
What are the key properties of (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine?
(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine has a molecular weight of 272.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 28716223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).