3-[1-(ethylamino)ethyl]-2-methylthian-3-ol

C10H21NOS — CID 79952256

IUPAC3-[1-(ethylamino)ethyl]-2-methylthian-3-ol
SMILESCCNC(C)C1(O)CCCSC1C
InChIInChI=1S/C10H21NOS/c1-4-11-8(2)10(12)6-5-7-13-9(10)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyMXGFXJSAJSRVMA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds3

About 3-[1-(ethylamino)ethyl]-2-methylthian-3-ol

3-[1-(ethylamino)ethyl]-2-methylthian-3-ol (PubChem CID 79952256) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethyl]-2-methylthian-3-ol.

Molecular Properties

Compound Name3-[1-(ethylamino)ethyl]-2-methylthian-3-ol
PubChem CID79952256
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-[1-(ethylamino)ethyl]-2-methylthian-3-ol
SMILESCCNC(C)C1(O)CCCSC1C
InChIInChI=1S/C10H21NOS/c1-4-11-8(2)10(12)6-5-7-13-9(10)3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyMXGFXJSAJSRVMA-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
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]-2-methylthian-3-ol?
The IUPAC name of 3-[1-(ethylamino)ethyl]-2-methylthian-3-ol (CID 79952256) is 3-[1-(ethylamino)ethyl]-2-methylthian-3-ol.
What is the SMILES notation for 3-[1-(ethylamino)ethyl]-2-methylthian-3-ol?
The canonical SMILES for 3-[1-(ethylamino)ethyl]-2-methylthian-3-ol is CCNC(C)C1(O)CCCSC1C.
What is the InChIKey of 3-[1-(ethylamino)ethyl]-2-methylthian-3-ol?
The InChIKey is MXGFXJSAJSRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-11-8(2)10(12)6-5-7-13-9(10)3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 3-[1-(ethylamino)ethyl]-2-methylthian-3-ol?
3-[1-(ethylamino)ethyl]-2-methylthian-3-ol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 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]-2-methylthian-3-ol is sourced from PubChem (CID 79952256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).