(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone

C15H21NO2S — CID 110197996

IUPAC(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone
SMILESCCC1(O)CCC12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C15H21NO2S/c1-2-15(18)5-4-14(15)6-8-16(9-7-14)13(17)12-3-10-19-11-12/h3,10-11,18H,2,4-9H2,1H3
InChIKeyJRZUYBVVWGNUFB-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.91
Rot. Bonds2

About (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone

(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone (PubChem CID 110197996) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone
PubChem CID110197996
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone
SMILESCCC1(O)CCC12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C15H21NO2S/c1-2-15(18)5-4-14(15)6-8-16(9-7-14)13(17)12-3-10-19-11-12/h3,10-11,18H,2,4-9H2,1H3
InChIKeyJRZUYBVVWGNUFB-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone 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 (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone?
The IUPAC name of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone (CID 110197996) is (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone is CCC1(O)CCC12CCN(C(=O)c1ccsc1)CC2.
What is the InChIKey of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone?
The InChIKey is JRZUYBVVWGNUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-15(18)5-4-14(15)6-8-16(9-7-14)13(17)12-3-10-19-11-12/h3,10-11,18H,2,4-9H2,1H3.
What are the key properties of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone?
(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone has a molecular weight of 279.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 110197996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).