1-(thietan-3-yl)ethanamine

C5H11NS — CID 83904788

IUPAC1-(thietan-3-yl)ethanamine
SMILESCC(N)C1CSC1
InChIInChI=1S/C5H11NS/c1-4(6)5-2-7-3-5/h4-5H,2-3,6H2,1H3
InChIKeyXRVJVLSLSPOMAZ-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.70
Rot. Bonds1

About 1-(thietan-3-yl)ethanamine

1-(thietan-3-yl)ethanamine (PubChem CID 83904788) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 1-(thietan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(thietan-3-yl)ethanamine
PubChem CID83904788
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name1-(thietan-3-yl)ethanamine
SMILESCC(N)C1CSC1
InChIInChI=1S/C5H11NS/c1-4(6)5-2-7-3-5/h4-5H,2-3,6H2,1H3
InChIKeyXRVJVLSLSPOMAZ-UHFFFAOYSA-N
XLogP0.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thietan-3-yl)ethanamine?
The IUPAC name of 1-(thietan-3-yl)ethanamine (CID 83904788) is 1-(thietan-3-yl)ethanamine.
What is the SMILES notation for 1-(thietan-3-yl)ethanamine?
The canonical SMILES for 1-(thietan-3-yl)ethanamine is CC(N)C1CSC1.
What is the InChIKey of 1-(thietan-3-yl)ethanamine?
The InChIKey is XRVJVLSLSPOMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-4(6)5-2-7-3-5/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(thietan-3-yl)ethanamine?
1-(thietan-3-yl)ethanamine has a molecular weight of 117.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thietan-3-yl)ethanamine is sourced from PubChem (CID 83904788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).