3-(fluoromethylsulfanyl)-N-methylpropan-1-amine

C5H12FNS — CID 166968766

IUPAC3-(fluoromethylsulfanyl)-N-methylpropan-1-amine
SMILESCNCCCSCF
InChIInChI=1S/C5H12FNS/c1-7-3-2-4-8-5-6/h7H,2-5H2,1H3
InChIKeyGYHANGLFZQVHSX-UHFFFAOYSA-N
MW137.22 g/mol
LogP1.26
Rot. Bonds5

About 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine

3-(fluoromethylsulfanyl)-N-methylpropan-1-amine (PubChem CID 166968766) has the molecular formula C5H12FNS and a molecular weight of 137.22 g/mol. Its IUPAC name is 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(fluoromethylsulfanyl)-N-methylpropan-1-amine
PubChem CID166968766
Molecular FormulaC5H12FNS
Molecular Weight137.22 g/mol
Exact Mass137.07
IUPAC Name3-(fluoromethylsulfanyl)-N-methylpropan-1-amine
SMILESCNCCCSCF
InChIInChI=1S/C5H12FNS/c1-7-3-2-4-8-5-6/h7H,2-5H2,1H3
InChIKeyGYHANGLFZQVHSX-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.22
LogP ≤ 51.26
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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Related Compounds

Methyl[1-(methylsulfanyl)butan-2-yl]amine
CID 20715135
Methyl[2-(methylsulfanyl)propyl]amine
CID 62579559
Methyl-(2-trifluoromethylsulfanyl-ethyl)-amine
CID 75530285
N-methyl-3-(trifluoromethylsulfanyl)propan-1-amine
CID 75530302
2-(fluoromethylsulfanyl)-N-methylethanamine
CID 122581353
2-(difluoromethylsulfanyl)-N-methylethanamine
CID 122581355
3-(2,2-difluoroethylsulfanyl)-N-methylpropan-1-amine
CID 142607573
N-ethyl-2,2-difluoro-2-propylsulfanylethanamine
CID 144194558
3-(2,2-Difluoroethylsulfanyl)propyl-methanidylazanium
CID 155624802
Methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium
CID 155624835
2-fluoro-N-methyl-1-propan-2-ylsulfanylpropan-1-amine
CID 166655060
N-methyl-2-(1,1,3-trifluorothiiran-2-yl)ethanamine
CID 170274129

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine (CID 166968766) is 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine is CNCCCSCF.
What is the InChIKey of 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine?
The InChIKey is GYHANGLFZQVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNS/c1-7-3-2-4-8-5-6/h7H,2-5H2,1H3.
What are the key properties of 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine?
3-(fluoromethylsulfanyl)-N-methylpropan-1-amine has a molecular weight of 137.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethylsulfanyl)-N-methylpropan-1-amine is sourced from PubChem (CID 166968766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).