3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine

C9H19FN2S — CID 106325171

IUPAC3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
SMILESFCCCNCCN1CCSCC1
InChIInChI=1S/C9H19FN2S/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h11H,1-9H2
InChIKeyYMGSNGSTGFASHS-UHFFFAOYSA-N
MW206.33 g/mol
LogP0.98
Rot. Bonds6

About 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine

3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine (PubChem CID 106325171) has the molecular formula C9H19FN2S and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
PubChem CID106325171
Molecular FormulaC9H19FN2S
Molecular Weight206.33 g/mol
Exact Mass206.13
IUPAC Name3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
SMILESFCCCNCCN1CCSCC1
InChIInChI=1S/C9H19FN2S/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h11H,1-9H2
InChIKeyYMGSNGSTGFASHS-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 50.98
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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Related Compounds

2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
2,2,2-trifluoro-N-(2-thiomorpholin-4-ylethyl)ethanamine
CID 62573269
4,4,4-Trifluoro-3-(3-methylthiomorpholin-4-yl)butan-2-amine
CID 64040126
2-(3-methylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64052633
2,2,2-trifluoro-N-[2-(3-methylthiomorpholin-4-yl)ethyl]ethanamine
CID 64053849
2-(2,6-Dimethylthiomorpholin-4-yl)-3,3,3-trifluoropropan-1-amine
CID 64115923
3-(2,6-Dimethylthiomorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 64116132
2-(2,6-dimethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64118260
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 64119655
3,3,3-trifluoro-N-methyl-N-(thiomorpholin-3-ylmethyl)propan-1-amine
CID 82916518
N-ethyl-2,2,2-trifluoro-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916666
N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 82917020

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine (CID 106325171) is 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine is FCCCNCCN1CCSCC1.
What is the InChIKey of 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
The InChIKey is YMGSNGSTGFASHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2S/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h11H,1-9H2.
What are the key properties of 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine?
3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 106325171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).