[3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine

C5H10FNO2S — CID 105433380

IUPAC[3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine
SMILESNCC1(CF)CS(=O)(=O)C1
InChIInChI=1S/C5H10FNO2S/c6-1-5(2-7)3-10(8,9)4-5/h1-4,7H2
InChIKeyMKBHGUDMRKXJBQ-UHFFFAOYSA-N
MW167.20 g/mol
LogP-0.67
Rot. Bonds2

About [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine

[3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine (PubChem CID 105433380) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine
PubChem CID105433380
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name[3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine
SMILESNCC1(CF)CS(=O)(=O)C1
InChIInChI=1S/C5H10FNO2S/c6-1-5(2-7)3-10(8,9)4-5/h1-4,7H2
InChIKeyMKBHGUDMRKXJBQ-UHFFFAOYSA-N
XLogP-0.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-1lambda6-thietane-1,1-dione
CID 84082942
3-(Aminomethyl)-1lambda6-thietane-1,1-dione hydrochloride
CID 86730691
3-(Fluoromethylsulfonyl)propan-1-amine
CID 84650161
2-(2-Fluoro-2-methylpropyl)sulfonylethanamine
CID 84659192
2-(1,1-Dioxothietan-3-yl)-2-fluoroethanamine
CID 105433384
[3-(1-Fluoroethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105439413
[3-(Difluoromethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105441485
2-(1,1-Dioxothietan-3-yl)-2,2-difluoroethanamine
CID 105441490
[3-(2-Fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine
CID 105449126
[3-(1,1-Difluoroethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105452017
[1,1-Dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine
CID 105454986
2-Fluoro-2-methyl-4-methylsulfonylbutan-1-amine
CID 112565037

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine?
The IUPAC name of [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine (CID 105433380) is [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine.
What is the SMILES notation for [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine?
The canonical SMILES for [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine is NCC1(CF)CS(=O)(=O)C1.
What is the InChIKey of [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine?
The InChIKey is MKBHGUDMRKXJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c6-1-5(2-7)3-10(8,9)4-5/h1-4,7H2.
What are the key properties of [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine?
[3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine has a molecular weight of 167.20 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)-1,1-dioxothietan-3-yl]methanamine is sourced from PubChem (CID 105433380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).