4-methylsulfanyloxan-3-amine

C6H13NOS — CID 123901850

IUPAC4-methylsulfanyloxan-3-amine
SMILESCSC1CCOCC1N
InChIInChI=1S/C6H13NOS/c1-9-6-2-3-8-4-5(6)7/h5-6H,2-4,7H2,1H3
InChIKeyYBGUIFBZOHSXNX-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.47
Rot. Bonds1

About 4-methylsulfanyloxan-3-amine

4-methylsulfanyloxan-3-amine (PubChem CID 123901850) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 4-methylsulfanyloxan-3-amine.

Molecular Properties

Compound Name4-methylsulfanyloxan-3-amine
PubChem CID123901850
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name4-methylsulfanyloxan-3-amine
SMILESCSC1CCOCC1N
InChIInChI=1S/C6H13NOS/c1-9-6-2-3-8-4-5(6)7/h5-6H,2-4,7H2,1H3
InChIKeyYBGUIFBZOHSXNX-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-methylsulfanyloxan-3-amine?
The IUPAC name of 4-methylsulfanyloxan-3-amine (CID 123901850) is 4-methylsulfanyloxan-3-amine.
What is the SMILES notation for 4-methylsulfanyloxan-3-amine?
The canonical SMILES for 4-methylsulfanyloxan-3-amine is CSC1CCOCC1N.
What is the InChIKey of 4-methylsulfanyloxan-3-amine?
The InChIKey is YBGUIFBZOHSXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-6-2-3-8-4-5(6)7/h5-6H,2-4,7H2,1H3.
What are the key properties of 4-methylsulfanyloxan-3-amine?
4-methylsulfanyloxan-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-methylsulfanyloxan-3-amine is sourced from PubChem (CID 123901850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).