1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one

C17H25NO4S — CID 72853849

IUPAC1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO
InChIInChI=1S/C17H25NO4S/c19-8-9-22-15-11-14(20)17(15)4-6-18(7-5-17)16(21)2-1-13-3-10-23-12-13/h3,10,12,14-15,19-20H,1-2,4-9,11H2/t14-,15+/m1/s1
InChIKeyPWFDVXVKSNHTHS-CABCVRRESA-N
MW339.46 g/mol
LogP1.43
Rot. Bonds6

About 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one

1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 72853849) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID72853849
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO
InChIInChI=1S/C17H25NO4S/c19-8-9-22-15-11-14(20)17(15)4-6-18(7-5-17)16(21)2-1-13-3-10-23-12-13/h3,10,12,14-15,19-20H,1-2,4-9,11H2/t14-,15+/m1/s1
InChIKeyPWFDVXVKSNHTHS-CABCVRRESA-N
XLogP1.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 145966010
1-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 145975442
9-[3-(3-Thienyl)propanoyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72853685
(1R*,3S*)-3-(2-hydroxyethoxy)-7-[4-(2-thienyl)butanoyl]-7-azaspiro[3.5]nonan-1-ol
CID 72891916
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-2-thiophen-2-ylethanone
CID 72880866
(1R*,3S*)-7-[3-(2-thienyl)propanoyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72924164
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 55064995
rel-(1R,3S)-3-(2-aminoethoxy)-7-(3-thienylacetyl)-7-azaspiro[3.5]nonan-1-ol hydrochloride
CID 70742869
(1R*,3S*)-3-methoxy-3-methyl-7-[3-(3-thienyl)propanoyl]-7-azaspiro[3.5]nonan-1-ol
CID 70751830
(1R*,3S*)-7-[4-(2-thienyl)butanoyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 70763823
1-[(1R,3S)-3-[2-(dimethylamino)ethoxy]-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one
CID 70771103
1-(3-Ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3-thiophen-2-ylpropan-1-one
CID 72127538

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one (CID 72853849) is 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CCC2(CC1)[C@H](O)C[C@@H]2OCCO.
What is the InChIKey of 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is PWFDVXVKSNHTHS-CABCVRRESA-N. The full InChI is InChI=1S/C17H25NO4S/c19-8-9-22-15-11-14(20)17(15)4-6-18(7-5-17)16(21)2-1-13-3-10-23-12-13/h3,10,12,14-15,19-20H,1-2,4-9,11H2/t14-,15+/m1/s1.
What are the key properties of 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one?
1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 339.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 72853849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).