[3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine

C9H18FNO2S — CID 115034072

IUPAC[3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine
SMILESCC(F)CC1CS(=O)(=O)CCC1CN
InChIInChI=1S/C9H18FNO2S/c1-7(10)4-9-6-14(12,13)3-2-8(9)5-11/h7-9H,2-6,11H2,1H3
InChIKeyMYBUUBWWDSJSKS-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.74
Rot. Bonds3

About [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine

[3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine (PubChem CID 115034072) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine
PubChem CID115034072
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name[3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine
SMILESCC(F)CC1CS(=O)(=O)CCC1CN
InChIInChI=1S/C9H18FNO2S/c1-7(10)4-9-6-14(12,13)3-2-8(9)5-11/h7-9H,2-6,11H2,1H3
InChIKeyMYBUUBWWDSJSKS-UHFFFAOYSA-N
XLogP0.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine?
The IUPAC name of [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine (CID 115034072) is [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine.
What is the SMILES notation for [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine?
The canonical SMILES for [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine is CC(F)CC1CS(=O)(=O)CCC1CN.
What is the InChIKey of [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine?
The InChIKey is MYBUUBWWDSJSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-7(10)4-9-6-14(12,13)3-2-8(9)5-11/h7-9H,2-6,11H2,1H3.
What are the key properties of [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine?
[3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine has a molecular weight of 223.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoropropyl)-1,1-dioxothian-4-yl]methanamine is sourced from PubChem (CID 115034072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).