(1-methylpyrrolidin-2-yl)methyl thiohypofluorite

C6H12FNS — CID 166533870

IUPAC(1-methylpyrrolidin-2-yl)methyl thiohypofluorite
SMILESCN1CCCC1CSF
InChIInChI=1S/C6H12FNS/c1-8-4-2-3-6(8)5-9-7/h6H,2-5H2,1H3
InChIKeyYFMOXQSDJUVMCN-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.70
Rot. Bonds2

About (1-methylpyrrolidin-2-yl)methyl thiohypofluorite

(1-methylpyrrolidin-2-yl)methyl thiohypofluorite (PubChem CID 166533870) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methyl thiohypofluorite.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methyl thiohypofluorite
PubChem CID166533870
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name(1-methylpyrrolidin-2-yl)methyl thiohypofluorite
SMILESCN1CCCC1CSF
InChIInChI=1S/C6H12FNS/c1-8-4-2-3-6(8)5-9-7/h6H,2-5H2,1H3
InChIKeyYFMOXQSDJUVMCN-UHFFFAOYSA-N
XLogP1.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-ethylpyrrolidin-2-yl]methanethiol
CID 45088079
4-Fluoro-1-propan-2-ylpyrrolidine-2-thiol
CID 138601914
[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanethiol
CID 156141546
4-Fluoro-1-methylpyrrolidine-2-carbothialdehyde
CID 164922305
(1-Methylpyrrolidin-3-yl) thiohypofluorite
CID 166837391
1-[(2R,3S,4S)-3,4-difluoro-2-methylpyrrolidin-1-yl]ethanethiol
CID 170079552
(1S)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanethiol
CID 173735358
[(2S)-1-methylpyrrolidin-2-yl]methanethiol
CID 10866373
1-Methylpyrrolidine-2-carbothialdehyde
CID 12900656
2-(1-Methylpyrrolidin-2-yl)ethane-1-thiol
CID 20230085
1,2-Dimethyl-3-methylsulfanylpyrrolidine
CID 20829759
(1-Methylpyrrolidin-2-yl)methanethiol
CID 21277983

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)methyl thiohypofluorite?
The IUPAC name of (1-methylpyrrolidin-2-yl)methyl thiohypofluorite (CID 166533870) is (1-methylpyrrolidin-2-yl)methyl thiohypofluorite.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methyl thiohypofluorite?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methyl thiohypofluorite is CN1CCCC1CSF.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methyl thiohypofluorite?
The InChIKey is YFMOXQSDJUVMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c1-8-4-2-3-6(8)5-9-7/h6H,2-5H2,1H3.
What are the key properties of (1-methylpyrrolidin-2-yl)methyl thiohypofluorite?
(1-methylpyrrolidin-2-yl)methyl thiohypofluorite has a molecular weight of 149.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)methyl thiohypofluorite is sourced from PubChem (CID 166533870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).