[2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite

C7H16FIN2S2 — CID 171840157

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite
SMILESCSF.NCC1CCCN1CSI
InChIInChI=1S/C6H13IN2S.CH3FS/c7-10-5-9-3-1-2-6(9)4-8;1-3-2/h6H,1-5,8H2;1H3
InChIKeyMLASNQYURWTSMG-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.68
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite

[2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite (PubChem CID 171840157) has the molecular formula C7H16FIN2S2 and a molecular weight of 338.26 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite
PubChem CID171840157
Molecular FormulaC7H16FIN2S2
Molecular Weight338.26 g/mol
Exact Mass337.98
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite
SMILESCSF.NCC1CCCN1CSI
InChIInChI=1S/C6H13IN2S.CH3FS/c7-10-5-9-3-1-2-6(9)4-8;1-3-2/h6H,1-5,8H2;1H3
InChIKeyMLASNQYURWTSMG-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 82503310
[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
CID 103089527
[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine
CID 59293958
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile
CID 73062219
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite (CID 171840157) is [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite is CSF.NCC1CCCN1CSI.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite?
The InChIKey is MLASNQYURWTSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IN2S.CH3FS/c7-10-5-9-3-1-2-6(9)4-8;1-3-2/h6H,1-5,8H2;1H3.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite?
[2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite has a molecular weight of 338.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]methyl thiohypoiodite;methyl thiohypofluorite is sourced from PubChem (CID 171840157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).