(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone

C15H21NO2S — CID 110197990

IUPAC(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone
SMILESCCC1(O)CCC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C15H21NO2S/c1-2-15(18)6-5-14(15)7-9-16(10-8-14)13(17)12-4-3-11-19-12/h3-4,11,18H,2,5-10H2,1H3
InChIKeyXDHOSCOEMYBGJR-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.91
Rot. Bonds2

About (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone

(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone (PubChem CID 110197990) 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-2-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone
PubChem CID110197990
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone
SMILESCCC1(O)CCC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C15H21NO2S/c1-2-15(18)6-5-14(15)7-9-16(10-8-14)13(17)12-4-3-11-19-12/h3-4,11,18H,2,5-10H2,1H3
InChIKeyXDHOSCOEMYBGJR-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

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Related Compounds

{4-Benzyl-1-[(3-methyl-2-thienyl)carbonyl]piperidin-4-yl}methanol
CID 16188737
2-Azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone
CID 54580944
(1R*,3S*)-7-{[5-(ethylthio)-2-thienyl]carbonyl}-7-azaspiro[3.5]nonane-1,3-diol
CID 70710579
(3R*,4S*)-1-{[5-(ethylthio)-2-thienyl]carbonyl}-3,4-dimethylpiperidin-4-ol
CID 70743196
N-methyl-N-[(4-methyloxan-4-yl)methyl]thiophene-2-carboxamide
CID 110875708
4-Phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 9535495
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[(5-methyl-3-thienyl)carbonyl]-4-piperidinol
CID 72929651
(1R*,3S*)-3-(2-hydroxyethoxy)-7-[(5-methyl-2-thienyl)carbonyl]-7-azaspiro[3.5]nonan-1-ol
CID 72940486
(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone
CID 110197926
(1-Methoxy-7-azaspiro[3.5]non-7-yl)(5-methyl-2-thienyl)methanone
CID 110197934
(3-Ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-3-ylmethanone
CID 110197996
[9-[(Dimethylamino)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl]-(3-methylthiophen-2-yl)methanone
CID 124058430

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone (CID 110197990) is (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone is CCC1(O)CCC12CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone?
The InChIKey is XDHOSCOEMYBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-15(18)6-5-14(15)7-9-16(10-8-14)13(17)12-4-3-11-19-12/h3-4,11,18H,2,5-10H2,1H3.
What are the key properties of (3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-ylmethanone?
(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)-thiophen-2-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-2-ylmethanone is sourced from PubChem (CID 110197990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).