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

C8H16FNO2S — CID 105463177

IUPAC3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine
SMILESNCCCC1CCS(=O)(=O)CC1F
InChIInChI=1S/C8H16FNO2S/c9-8-6-13(11,12)5-3-7(8)2-1-4-10/h7-8H,1-6,10H2
InChIKeyFDVGOINPSSLGKD-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.50
Rot. Bonds3

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

3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine (PubChem CID 105463177) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine
PubChem CID105463177
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine
SMILESNCCCC1CCS(=O)(=O)CC1F
InChIInChI=1S/C8H16FNO2S/c9-8-6-13(11,12)5-3-7(8)2-1-4-10/h7-8H,1-6,10H2
InChIKeyFDVGOINPSSLGKD-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoroethyl)-1,1-dioxothian-4-amine
CID 115020249
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
(4-ethyl-1,1-dioxothian-3-yl)methanamine
CID 84772118
7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide
CID 24710783
4-[5-(1,1-dioxothiolan-3-yl)tetrazol-1-yl]butan-1-amine
CID 114182264
(3S,4R)-1,1-dioxothiane-3,4-diamine
CID 124661417
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
3,4-diethylthiane 1,1-dioxide
CID 89014095
1,1-dioxo-3-propylthian-4-amine
CID 83484055
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
3-(1,1-dioxothiolan-3-yl)-4,4-difluorobutan-1-amine
CID 115036098
2-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 64904173

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine?
The IUPAC name of 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine (CID 105463177) is 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine?
The canonical SMILES for 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine is NCCCC1CCS(=O)(=O)CC1F.
What is the InChIKey of 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine?
The InChIKey is FDVGOINPSSLGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-8-6-13(11,12)5-3-7(8)2-1-4-10/h7-8H,1-6,10H2.
What are the key properties of 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine?
3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine is sourced from PubChem (CID 105463177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).