2-[ethyl(thiolan-3-yl)amino]ethanol

C8H17NOS — CID 121203695

IUPAC2-[ethyl(thiolan-3-yl)amino]ethanol
SMILESCCN(CCO)C1CCSC1
InChIInChI=1S/C8H17NOS/c1-2-9(4-5-10)8-3-6-11-7-8/h8,10H,2-7H2,1H3
InChIKeyOIAKIZYYOCYFQQ-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.81
Rot. Bonds4

About 2-[ethyl(thiolan-3-yl)amino]ethanol

2-[ethyl(thiolan-3-yl)amino]ethanol (PubChem CID 121203695) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-[ethyl(thiolan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(thiolan-3-yl)amino]ethanol
PubChem CID121203695
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-[ethyl(thiolan-3-yl)amino]ethanol
SMILESCCN(CCO)C1CCSC1
InChIInChI=1S/C8H17NOS/c1-2-9(4-5-10)8-3-6-11-7-8/h8,10H,2-7H2,1H3
InChIKeyOIAKIZYYOCYFQQ-UHFFFAOYSA-N
XLogP0.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiolan-3-yl)amino]ethanol?
The IUPAC name of 2-[ethyl(thiolan-3-yl)amino]ethanol (CID 121203695) is 2-[ethyl(thiolan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(thiolan-3-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl(thiolan-3-yl)amino]ethanol is CCN(CCO)C1CCSC1.
What is the InChIKey of 2-[ethyl(thiolan-3-yl)amino]ethanol?
The InChIKey is OIAKIZYYOCYFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-2-9(4-5-10)8-3-6-11-7-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-[ethyl(thiolan-3-yl)amino]ethanol?
2-[ethyl(thiolan-3-yl)amino]ethanol has a molecular weight of 175.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiolan-3-yl)amino]ethanol is sourced from PubChem (CID 121203695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).