1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one

C15H21NO2S — CID 164635147

IUPAC1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CC[C@H](O)C12CCCC2
InChIInChI=1S/C15H21NO2S/c17-13-5-9-16(15(13)7-1-2-8-15)14(18)4-3-12-6-10-19-11-12/h6,10-11,13,17H,1-5,7-9H2/t13-/m0/s1
InChIKeyRXPCWWFEZAKFQX-ZDUSSCGKSA-N
MW279.40 g/mol
LogP2.59
Rot. Bonds3

About 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one

1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 164635147) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID164635147
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CC[C@H](O)C12CCCC2
InChIInChI=1S/C15H21NO2S/c17-13-5-9-16(15(13)7-1-2-8-15)14(18)4-3-12-6-10-19-11-12/h6,10-11,13,17H,1-5,7-9H2/t13-/m0/s1
InChIKeyRXPCWWFEZAKFQX-ZDUSSCGKSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 137648267
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 137655034
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
1-[2-(Hydroxymethyl)-2-propyl-1-pyrrolidinyl]-2-(3-thienyl)-1-ethanone
CID 71830238
1-[2-(Hydroxymethyl)-2-methyl-1-pyrrolidinyl]-2-(3-thienyl)-1-ethanone
CID 71830253
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 71857986
1-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 55076355
1-(3-Hydroxypyrrolidin-1-yl)-2-(thiophen-3-yl)ethanone
CID 62917249
1-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-3-ylethanone
CID 63762880
4-Hydroxy-1-(1-thiophen-3-ylpropan-2-yl)pyrrolidin-2-one
CID 64159240
1-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 66053718

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one (CID 164635147) is 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CC[C@H](O)C12CCCC2.
What is the InChIKey of 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is RXPCWWFEZAKFQX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-13-5-9-16(15(13)7-1-2-8-15)14(18)4-3-12-6-10-19-11-12/h6,10-11,13,17H,1-5,7-9H2/t13-/m0/s1.
What are the key properties of 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one?
1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 279.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-hydroxy-1-azaspiro[4.4]nonan-1-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 164635147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).