4-methoxythian-3-amine

C6H13NOS — CID 82417682

IUPAC4-methoxythian-3-amine
SMILESCOC1CCSCC1N
InChIInChI=1S/C6H13NOS/c1-8-6-2-3-9-4-5(6)7/h5-6H,2-4,7H2,1H3
InChIKeyHORLFFOICHRTBG-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.47
Rot. Bonds1

About 4-methoxythian-3-amine

4-methoxythian-3-amine (PubChem CID 82417682) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 4-methoxythian-3-amine.

Molecular Properties

Compound Name4-methoxythian-3-amine
PubChem CID82417682
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name4-methoxythian-3-amine
SMILESCOC1CCSCC1N
InChIInChI=1S/C6H13NOS/c1-8-6-2-3-9-4-5(6)7/h5-6H,2-4,7H2,1H3
InChIKeyHORLFFOICHRTBG-UHFFFAOYSA-N
XLogP0.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxythian-3-amine?
The IUPAC name of 4-methoxythian-3-amine (CID 82417682) is 4-methoxythian-3-amine.
What is the SMILES notation for 4-methoxythian-3-amine?
The canonical SMILES for 4-methoxythian-3-amine is COC1CCSCC1N.
What is the InChIKey of 4-methoxythian-3-amine?
The InChIKey is HORLFFOICHRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-8-6-2-3-9-4-5(6)7/h5-6H,2-4,7H2,1H3.
What are the key properties of 4-methoxythian-3-amine?
4-methoxythian-3-amine has a molecular weight of 147.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxythian-3-amine is sourced from PubChem (CID 82417682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).