N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine

C9H19FN2O2S — CID 81106807

IUPACN-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCCF)CC1
InChIInChI=1S/C9H19FN2O2S/c1-15(13,14)12-7-3-9(4-8-12)11-6-2-5-10/h9,11H,2-8H2,1H3
InChIKeyODFJPUGEXKERQN-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.36
Rot. Bonds5

About N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine

N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 81106807) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID81106807
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC NameN-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCCF)CC1
InChIInChI=1S/C9H19FN2O2S/c1-15(13,14)12-7-3-9(4-8-12)11-6-2-5-10/h9,11H,2-8H2,1H3
InChIKeyODFJPUGEXKERQN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine (CID 81106807) is N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCCCF)CC1.
What is the InChIKey of N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ODFJPUGEXKERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-15(13,14)12-7-3-9(4-8-12)11-6-2-5-10/h9,11H,2-8H2,1H3.
What are the key properties of N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine?
N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-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 N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 81106807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).