3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine

C9H17FN2S — CID 164657987

IUPAC3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine
SMILESFC1CCN(CC2CSCCN2)C1
InChIInChI=1S/C9H17FN2S/c10-8-1-3-12(5-8)6-9-7-13-4-2-11-9/h8-9,11H,1-7H2
InChIKeyNCPLMFSXKZEZJA-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.74
Rot. Bonds2

About 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine

3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine (PubChem CID 164657987) has the molecular formula C9H17FN2S and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine
PubChem CID164657987
Molecular FormulaC9H17FN2S
Molecular Weight204.31 g/mol
Exact Mass204.11
IUPAC Name3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine
SMILESFC1CCN(CC2CSCCN2)C1
InChIInChI=1S/C9H17FN2S/c10-8-1-3-12(5-8)6-9-7-13-4-2-11-9/h8-9,11H,1-7H2
InChIKeyNCPLMFSXKZEZJA-UHFFFAOYSA-N
XLogP0.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-fluoro-1-[5-[[(5R)-5-(sulfanylmethyl)pyrrolidin-3-yl]sulfanylmethyl]pyrrolidin-3-yl]piperidine-4-thiol
CID 156045483
2-(3-methylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64052633
1-(4-Methylsulfanylpyrrolidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 82759852
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)propan-1-amine
CID 82917021
N-(thiomorpholin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 82917187
4,4,4-trifluoro-N-(thiomorpholin-3-ylmethyl)butan-1-amine
CID 82917841
3-fluoro-N-(2-thiomorpholin-4-ylethyl)propan-1-amine
CID 106325171
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperazine
CID 112739438
2-(2,3-dimethylthiomorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113514319
3-[2-[3-(Trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine
CID 114271889

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine (CID 164657987) is 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine is FC1CCN(CC2CSCCN2)C1.
What is the InChIKey of 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine?
The InChIKey is NCPLMFSXKZEZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2S/c10-8-1-3-12(5-8)6-9-7-13-4-2-11-9/h8-9,11H,1-7H2.
What are the key properties of 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine?
3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine has a molecular weight of 204.31 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyrrolidin-1-yl)methyl]thiomorpholine is sourced from PubChem (CID 164657987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).