1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone

C15H21NO3S — CID 72880866

IUPAC1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C15H21NO3S/c1-19-13-10-12(17)15(13)4-6-16(7-5-15)14(18)9-11-3-2-8-20-11/h2-3,8,12-13,17H,4-7,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyJOQHZKNJDWUJDJ-OLZOCXBDSA-N
MW295.40 g/mol
LogP1.68
Rot. Bonds3

About 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone

1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone (PubChem CID 72880866) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone
PubChem CID72880866
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C15H21NO3S/c1-19-13-10-12(17)15(13)4-6-16(7-5-15)14(18)9-11-3-2-8-20-11/h2-3,8,12-13,17H,4-7,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyJOQHZKNJDWUJDJ-OLZOCXBDSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

(1R*,3S*)-7-{[5-(ethylthio)-2-thienyl]carbonyl}-7-azaspiro[3.5]nonane-1,3-diol
CID 70710579
(3-(Hydroxymethyl)morpholino)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 71785836
1-[4-(4-Thiophen-2-yloxane-4-carbonyl)piperazin-1-yl]ethanone
CID 7243499
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53150832
(1R*,3S*)-3-(2-hydroxyethoxy)-7-[4-(2-thienyl)butanoyl]-7-azaspiro[3.5]nonan-1-ol
CID 72891916
(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
(1R*,3S*)-3-(2-hydroxyethoxy)-7-[3-(3-thienyl)propanoyl]-7-azaspiro[3.5]nonan-1-ol
CID 72853849
(1R*,3S*)-7-[3-(2-thienyl)propanoyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72924164
2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 124682141
2-Methyl-3-thiophen-2-yl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329034

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone (CID 72880866) is 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone is CO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cccs1)CC2.
What is the InChIKey of 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone?
The InChIKey is JOQHZKNJDWUJDJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-19-13-10-12(17)15(13)4-6-16(7-5-15)14(18)9-11-3-2-8-20-11/h2-3,8,12-13,17H,4-7,9-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone?
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone has a molecular weight of 295.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 72880866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).