(4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine

C7H14FNO2S — CID 105449127

IUPAC(4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine
SMILESCC1(CN)CS(=O)(=O)CCC1F
InChIInChI=1S/C7H14FNO2S/c1-7(4-9)5-12(10,11)3-2-6(7)8/h6H,2-5,9H2,1H3
InChIKeyTZQQVJSUHKPBIB-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds1

About (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine

(4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine (PubChem CID 105449127) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine
PubChem CID105449127
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name(4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine
SMILESCC1(CN)CS(=O)(=O)CCC1F
InChIInChI=1S/C7H14FNO2S/c1-7(4-9)5-12(10,11)3-2-6(7)8/h6H,2-5,9H2,1H3
InChIKeyTZQQVJSUHKPBIB-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

4-(Aminomethyl)-4-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 137964749
3-(Aminomethyl)-1lambda6-thiane-1,1-dione
CID 60796760
(3-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84022422
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
4-(Aminomethyl)-4-methyl-1lambda6-thiane-1,1-dione
CID 84767493
(4-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84768422
2-(3-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84773581
2-(4-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 84773582
[3-(Fluoromethyl)-1,1-dioxothian-3-yl]methanamine
CID 84773583
[4-(Fluoromethyl)-1,1-dioxothian-4-yl]methanamine
CID 84773584
(4,4-Difluoro-1,1-dioxothian-3-yl)methanamine
CID 84775227

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine?
The IUPAC name of (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine (CID 105449127) is (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine?
The canonical SMILES for (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine is CC1(CN)CS(=O)(=O)CCC1F.
What is the InChIKey of (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine?
The InChIKey is TZQQVJSUHKPBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-7(4-9)5-12(10,11)3-2-6(7)8/h6H,2-5,9H2,1H3.
What are the key properties of (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine?
(4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methyl-1,1-dioxothian-3-yl)methanamine is sourced from PubChem (CID 105449127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).