ethane;oxolane;thian-4-amine

C11H25NOS — CID 143062795

IUPACethane;oxolane;thian-4-amine
SMILESC1CCOC1.CC.NC1CCSCC1
InChIInChI=1S/C5H11NS.C4H8O.C2H6/c6-5-1-3-7-4-2-5;1-2-4-5-3-1;1-2/h5H,1-4,6H2;1-4H2;1-2H3
InChIKeyKXJIJBBKLIZAKC-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.66
Rot. Bonds

About ethane;oxolane;thian-4-amine

ethane;oxolane;thian-4-amine (PubChem CID 143062795) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is ethane;oxolane;thian-4-amine.

Molecular Properties

Compound Nameethane;oxolane;thian-4-amine
PubChem CID143062795
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Nameethane;oxolane;thian-4-amine
SMILESC1CCOC1.CC.NC1CCSCC1
InChIInChI=1S/C5H11NS.C4H8O.C2H6/c6-5-1-3-7-4-2-5;1-2-4-5-3-1;1-2/h5H,1-4,6H2;1-4H2;1-2H3
InChIKeyKXJIJBBKLIZAKC-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;oxolane;thian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;oxolane;thian-4-amine?
The IUPAC name of ethane;oxolane;thian-4-amine (CID 143062795) is ethane;oxolane;thian-4-amine.
What is the SMILES notation for ethane;oxolane;thian-4-amine?
The canonical SMILES for ethane;oxolane;thian-4-amine is C1CCOC1.CC.NC1CCSCC1.
What is the InChIKey of ethane;oxolane;thian-4-amine?
The InChIKey is KXJIJBBKLIZAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.C4H8O.C2H6/c6-5-1-3-7-4-2-5;1-2-4-5-3-1;1-2/h5H,1-4,6H2;1-4H2;1-2H3.
What are the key properties of ethane;oxolane;thian-4-amine?
ethane;oxolane;thian-4-amine has a molecular weight of 219.39 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxolane;thian-4-amine is sourced from PubChem (CID 143062795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).