N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine

C9H19FN2O2S — CID 121358964

IUPACN-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
SMILESCCNCC1CCN(S(C)(=O)=O)CC1F
InChIInChI=1S/C9H19FN2O2S/c1-3-11-6-8-4-5-12(7-9(8)10)15(2,13)14/h8-9,11H,3-7H2,1-2H3
InChIKeyAIJFYAQNWVTROH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.22
Rot. Bonds4

About N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine

N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine (PubChem CID 121358964) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
PubChem CID121358964
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC NameN-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
SMILESCCNCC1CCN(S(C)(=O)=O)CC1F
InChIInChI=1S/C9H19FN2O2S/c1-3-11-6-8-4-5-12(7-9(8)10)15(2,13)14/h8-9,11H,3-7H2,1-2H3
InChIKeyAIJFYAQNWVTROH-UHFFFAOYSA-N
XLogP0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)methanesulfonamide
CID 5095908
{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
N-(piperidin-3-ylmethyl)methanesulfonamide
CID 4343050
(1-Trifluoromethanesulfonylpiperidin-4-yl)methanamine
CID 43605368
N-(Piperidin-4-ylmethyl)methanesulfonamide hydrochloride
CID 44630864
(1-Methanesulfonylpiperidin-4-yl)methanamine hydrochloride
CID 53256363
N-[2-(4-methylpiperidin-1-yl)ethyl]methanesulfonamide
CID 17788376
N-[2-(1-methylpiperidin-4-yl)ethyl]methanesulfonamide
CID 72025553
(1-Difluoromethanesulfonylpiperidin-4-yl)methanamine hydrochloride
CID 54592998
N-Methyl-1-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 137703094
1-Methanesulfonyl-4-(pyrrolidin-3-YL)piperidine
CID 90488137
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]methanesulfonamide
CID 71975842

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine (CID 121358964) is N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine is CCNCC1CCN(S(C)(=O)=O)CC1F.
What is the InChIKey of N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is AIJFYAQNWVTROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-3-11-6-8-4-5-12(7-9(8)10)15(2,13)14/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine?
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 121358964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).