3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine

C10H20FNO2S — CID 115042195

IUPAC3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine
SMILESCC(F)C(CCN)C1CCCS(=O)(=O)C1
InChIInChI=1S/C10H20FNO2S/c1-8(11)10(4-5-12)9-3-2-6-15(13,14)7-9/h8-10H,2-7,12H2,1H3
InChIKeyVPMWWHDMWLBDMU-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.13
Rot. Bonds4

About 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine

3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine (PubChem CID 115042195) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine
PubChem CID115042195
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine
SMILESCC(F)C(CCN)C1CCCS(=O)(=O)C1
InChIInChI=1S/C10H20FNO2S/c1-8(11)10(4-5-12)9-3-2-6-15(13,14)7-9/h8-10H,2-7,12H2,1H3
InChIKeyVPMWWHDMWLBDMU-UHFFFAOYSA-N
XLogP1.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine?
The IUPAC name of 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine (CID 115042195) is 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine is CC(F)C(CCN)C1CCCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine?
The InChIKey is VPMWWHDMWLBDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-8(11)10(4-5-12)9-3-2-6-15(13,14)7-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine?
3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-3-yl)-4-fluoropentan-1-amine is sourced from PubChem (CID 115042195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).