3-fluoro-1-methylsulfanylpyrrolidine

C5H10FNS — CID 155316052

IUPAC3-fluoro-1-methylsulfanylpyrrolidine
SMILESCSN1CCC(F)C1
InChIInChI=1S/C5H10FNS/c1-8-7-3-2-5(6)4-7/h5H,2-4H2,1H3
InChIKeyRWORIHMTEFUEFN-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.31
Rot. Bonds1

About 3-fluoro-1-methylsulfanylpyrrolidine

3-fluoro-1-methylsulfanylpyrrolidine (PubChem CID 155316052) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-fluoro-1-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-methylsulfanylpyrrolidine
PubChem CID155316052
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name3-fluoro-1-methylsulfanylpyrrolidine
SMILESCSN1CCC(F)C1
InChIInChI=1S/C5H10FNS/c1-8-7-3-2-5(6)4-7/h5H,2-4H2,1H3
InChIKeyRWORIHMTEFUEFN-UHFFFAOYSA-N
XLogP1.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-1-sulfanylpyrrolidine
CID 123394119
3,3-Difluoro-1-methylsulfanylpyrrolidine
CID 123776215
(3S)-3-fluoro-1-methylsulfanylpyrrolidine
CID 129168078
(3R)-1-(disulfanyl)-3-fluoropyrrolidine
CID 129168111
(3R)-3-fluoro-1-methylsulfanylpyrrolidine
CID 139353980
(3R)-3-fluoro-1-sulfanylpyrrolidine
CID 147419645
3-Fluoro-1-(methylsulfanylmethyl)pyrrolidine
CID 156418403
3-Fluoro-1-methylsulfinylpyrrolidine
CID 167493477
3,3,4,4-Tetrafluoro-1-methylsulfanylpyrrolidine
CID 169619145
1-Methylsulfanylpyrrolidine
CID 15113339
1-(Trifluoromethylsulfanyl)pyrrolidine
CID 101674551
1-(Difluoromethylsulfanyl)pyrrolidine
CID 176666265

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylsulfanylpyrrolidine?
The IUPAC name of 3-fluoro-1-methylsulfanylpyrrolidine (CID 155316052) is 3-fluoro-1-methylsulfanylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-methylsulfanylpyrrolidine?
The canonical SMILES for 3-fluoro-1-methylsulfanylpyrrolidine is CSN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-methylsulfanylpyrrolidine?
The InChIKey is RWORIHMTEFUEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c1-8-7-3-2-5(6)4-7/h5H,2-4H2,1H3.
What are the key properties of 3-fluoro-1-methylsulfanylpyrrolidine?
3-fluoro-1-methylsulfanylpyrrolidine has a molecular weight of 135.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylsulfanylpyrrolidine is sourced from PubChem (CID 155316052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).