N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine

C7H14F3NOS — CID 86696858

IUPACN-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
SMILESCNCCCS(=O)CCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-11-4-2-5-13(12)6-3-7(8,9)10/h11H,2-6H2,1H3
InChIKeyVSYFHKZJFUPDAG-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.30
Rot. Bonds6

About N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine

N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine (PubChem CID 86696858) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
PubChem CID86696858
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC NameN-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
SMILESCNCCCS(=O)CCC(F)(F)F
InChIInChI=1S/C7H14F3NOS/c1-11-4-2-5-13(12)6-3-7(8,9)10/h11H,2-6H2,1H3
InChIKeyVSYFHKZJFUPDAG-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The IUPAC name of N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine (CID 86696858) is N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine is CNCCCS(=O)CCC(F)(F)F.
What is the InChIKey of N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The InChIKey is VSYFHKZJFUPDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-11-4-2-5-13(12)6-3-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine has a molecular weight of 217.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine is sourced from PubChem (CID 86696858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).