[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine

C15H23FN2O2S — CID 103495203

IUPAC[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCC(C)C1CCN(S(=O)(=O)c2cccc(F)c2CN)CC1
InChIInChI=1S/C15H23FN2O2S/c1-11(2)12-6-8-18(9-7-12)21(19,20)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeySOLPXGRBMTUAAZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.34
Rot. Bonds4

About [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine

[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 103495203) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID103495203
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCC(C)C1CCN(S(=O)(=O)c2cccc(F)c2CN)CC1
InChIInChI=1S/C15H23FN2O2S/c1-11(2)12-6-8-18(9-7-12)21(19,20)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeySOLPXGRBMTUAAZ-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974697
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974696
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
CID 65319473
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83052838
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
4-ethyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505048
[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
CID 102883116
1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925
1-[1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583021
3-chloro-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505020
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 103495203) is [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine is CC(C)C1CCN(S(=O)(=O)c2cccc(F)c2CN)CC1.
What is the InChIKey of [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is SOLPXGRBMTUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11(2)12-6-8-18(9-7-12)21(19,20)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-10,17H2,1-2H3.
What are the key properties of [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine?
[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 103495203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).