1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine

C12H17FN2O4S2 — CID 43455224

IUPAC1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C12H17FN2O4S2/c1-20(16,17)10-4-5-11(13)12(7-10)21(18,19)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKeyJEUMSKGZQHLDKZ-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.34
Rot. Bonds3

About 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine

1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine (PubChem CID 43455224) has the molecular formula C12H17FN2O4S2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
PubChem CID43455224
Molecular FormulaC12H17FN2O4S2
Molecular Weight336.41 g/mol
Exact Mass336.06
IUPAC Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C12H17FN2O4S2/c1-20(16,17)10-4-5-11(13)12(7-10)21(18,19)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKeyJEUMSKGZQHLDKZ-UHFFFAOYSA-N
XLogP0.34
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120998796
1-(2-methyl-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-amine
CID 119971740
(3S)-1-(2-bromo-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-amine
CID 129380794
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
(3S)-1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-3-amine
CID 166174792
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
2-(3-methylpiperidin-1-yl)sulfonyl-4-methylsulfonylaniline
CID 62149868
1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-3-amine
CID 120706061
4-(3-aminopiperidin-1-yl)sulfonyl-3-fluorobenzoic acid
CID 79187784
1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine
CID 43454697
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine (CID 43455224) is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCCC(N)C2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is JEUMSKGZQHLDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S2/c1-20(16,17)10-4-5-11(13)12(7-10)21(18,19)15-6-2-3-9(14)8-15/h4-5,7,9H,2-3,6,8,14H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine?
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine has a molecular weight of 336.41 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 43455224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).