3-ethylsulfanyloxan-4-amine

C7H15NOS — CID 64613191

IUPAC3-ethylsulfanyloxan-4-amine
SMILESCCSC1COCCC1N
InChIInChI=1S/C7H15NOS/c1-2-10-7-5-9-4-3-6(7)8/h6-7H,2-5,8H2,1H3
InChIKeyZTFXAPNUTQMUDQ-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.86
Rot. Bonds2

About 3-ethylsulfanyloxan-4-amine

3-ethylsulfanyloxan-4-amine (PubChem CID 64613191) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-ethylsulfanyloxan-4-amine.

Molecular Properties

Compound Name3-ethylsulfanyloxan-4-amine
PubChem CID64613191
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-ethylsulfanyloxan-4-amine
SMILESCCSC1COCCC1N
InChIInChI=1S/C7H15NOS/c1-2-10-7-5-9-4-3-6(7)8/h6-7H,2-5,8H2,1H3
InChIKeyZTFXAPNUTQMUDQ-UHFFFAOYSA-N
XLogP0.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyloxan-4-amine?
The IUPAC name of 3-ethylsulfanyloxan-4-amine (CID 64613191) is 3-ethylsulfanyloxan-4-amine.
What is the SMILES notation for 3-ethylsulfanyloxan-4-amine?
The canonical SMILES for 3-ethylsulfanyloxan-4-amine is CCSC1COCCC1N.
What is the InChIKey of 3-ethylsulfanyloxan-4-amine?
The InChIKey is ZTFXAPNUTQMUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-10-7-5-9-4-3-6(7)8/h6-7H,2-5,8H2,1H3.
What are the key properties of 3-ethylsulfanyloxan-4-amine?
3-ethylsulfanyloxan-4-amine has a molecular weight of 161.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyloxan-4-amine is sourced from PubChem (CID 64613191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).