3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol

C9H19NOS — CID 79949211

IUPAC3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol
SMILESCCNC(C)C1(O)CSC(C)C1
InChIInChI=1S/C9H19NOS/c1-4-10-8(3)9(11)5-7(2)12-6-9/h7-8,10-11H,4-6H2,1-3H3
InChIKeyFCPABDGNTPABHS-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds3

About 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol

3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol (PubChem CID 79949211) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol.

Molecular Properties

Compound Name3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol
PubChem CID79949211
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol
SMILESCCNC(C)C1(O)CSC(C)C1
InChIInChI=1S/C9H19NOS/c1-4-10-8(3)9(11)5-7(2)12-6-9/h7-8,10-11H,4-6H2,1-3H3
InChIKeyFCPABDGNTPABHS-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol?
The IUPAC name of 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol (CID 79949211) is 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol.
What is the SMILES notation for 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol?
The canonical SMILES for 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol is CCNC(C)C1(O)CSC(C)C1.
What is the InChIKey of 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol?
The InChIKey is FCPABDGNTPABHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-4-10-8(3)9(11)5-7(2)12-6-9/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol?
3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethyl]-5-methylthiolan-3-ol is sourced from PubChem (CID 79949211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).