[3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine

C7H14FNO2S — CID 105449126

IUPAC[3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine
SMILESCC(C)(F)C1(CN)CS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2,8)7(3-9)4-12(10,11)5-7/h3-5,9H2,1-2H3
InChIKeyFXNPWDSVXLFDGH-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds2

About [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine

[3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine (PubChem CID 105449126) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine
PubChem CID105449126
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name[3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine
SMILESCC(C)(F)C1(CN)CS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-6(2,8)7(3-9)4-12(10,11)5-7/h3-5,9H2,1-2H3
InChIKeyFXNPWDSVXLFDGH-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Fluoromethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105433380
2-(1,1-Dioxothietan-3-yl)-2-fluoroethanamine
CID 105433384
[3-(1-Fluoroethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105439413
[3-(1,1-Difluoroethyl)-1,1-dioxothietan-3-yl]methanamine
CID 105452017
2-Fluoro-2-methyl-4-methylsulfonylbutan-1-amine
CID 112565037
2-Fluoro-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 112566429
4-Methanesulfonyl-2,2-dimethylbutan-1-amine
CID 53621874
3-(Aminomethyl)-3-methyl-1lambda6-thietane-1,1-dione
CID 84107191
2-(1,1-Dioxothietan-3-yl)propan-1-amine
CID 84064625
2-(3-Methyl-1,1-dioxothietan-3-yl)ethanamine
CID 84107995
(3-Ethyl-1,1-dioxothietan-3-yl)methanamine
CID 84107996
(1,1-Dioxo-3-propan-2-ylthietan-3-yl)methanamine
CID 84109832

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine?
The IUPAC name of [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine (CID 105449126) is [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine.
What is the SMILES notation for [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine?
The canonical SMILES for [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine is CC(C)(F)C1(CN)CS(=O)(=O)C1.
What is the InChIKey of [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine?
The InChIKey is FXNPWDSVXLFDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-6(2,8)7(3-9)4-12(10,11)5-7/h3-5,9H2,1-2H3.
What are the key properties of [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine?
[3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoropropan-2-yl)-1,1-dioxothietan-3-yl]methanamine is sourced from PubChem (CID 105449126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).