3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine

C7H14FNO2S — CID 105449125

IUPAC3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
SMILESNCCCC1CS(=O)(=O)CC1F
InChIInChI=1S/C7H14FNO2S/c8-7-5-12(10,11)4-6(7)2-1-3-9/h6-7H,1-5,9H2
InChIKeyJWFJEZPVRZKLJT-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds3

About 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine

3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine (PubChem CID 105449125) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
PubChem CID105449125
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
SMILESNCCCC1CS(=O)(=O)CC1F
InChIInChI=1S/C7H14FNO2S/c8-7-5-12(10,11)4-6(7)2-1-3-9/h6-7H,1-5,9H2
InChIKeyJWFJEZPVRZKLJT-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 200360
3-Thiophenethylamine, tetrahydro-alpha-methyl-, 1,1-dioxide, hydrochloride
CID 200358
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
1-(1,1-Dioxothiolan-3-yl)propan-2-amine
CID 200359
3-(Cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
CID 64697882
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
[3-(Fluoromethylsulfonyl)cyclopentyl]methanamine
CID 84720541
(4-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765192
(3-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421
(4-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84768422
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84768423
(4,4-Difluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84769609

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine?
The IUPAC name of 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine (CID 105449125) is 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine is NCCCC1CS(=O)(=O)CC1F.
What is the InChIKey of 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine?
The InChIKey is JWFJEZPVRZKLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-7-5-12(10,11)4-6(7)2-1-3-9/h6-7H,1-5,9H2.
What are the key properties of 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine?
3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine is sourced from PubChem (CID 105449125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).