1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine

C9H19FN2O2S — CID 120714767

IUPAC1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C9H19FN2O2S/c1-11-9-4-2-6-12(8-9)15(13,14)7-3-5-10/h9,11H,2-8H2,1H3
InChIKeyOGEBKMUYNHOUOB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.36
Rot. Bonds5

About 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine

1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine (PubChem CID 120714767) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine
PubChem CID120714767
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC Name1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C9H19FN2O2S/c1-11-9-4-2-6-12(8-9)15(13,14)7-3-5-10/h9,11H,2-8H2,1H3
InChIKeyOGEBKMUYNHOUOB-UHFFFAOYSA-N
XLogP0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine (CID 120714767) is 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)CCCF)C1.
What is the InChIKey of 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine?
The InChIKey is OGEBKMUYNHOUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-11-9-4-2-6-12(8-9)15(13,14)7-3-5-10/h9,11H,2-8H2,1H3.
What are the key properties of 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine?
1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylsulfonyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 120714767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).