1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

C14H23N5O3S2 — CID 133110970

IUPAC1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESNCCO[C@@H]1C[C@H](O)C12CCN(C(=O)CSc1nnc(N)s1)CC2
InChIInChI=1S/C14H23N5O3S2/c15-3-6-22-10-7-9(20)14(10)1-4-19(5-2-14)11(21)8-23-13-18-17-12(16)24-13/h9-10,20H,1-8,15H2,(H2,16,17)/t9-,10+/m0/s1
InChIKeyZZLAZORETGNZHO-VHSXEESVSA-N
MW373.50 g/mol
LogP-0.07
Rot. Bonds6

About 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 133110970) has the molecular formula C14H23N5O3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID133110970
Molecular FormulaC14H23N5O3S2
Molecular Weight373.50 g/mol
Exact Mass373.12
IUPAC Name1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESNCCO[C@@H]1C[C@H](O)C12CCN(C(=O)CSc1nnc(N)s1)CC2
InChIInChI=1S/C14H23N5O3S2/c15-3-6-22-10-7-9(20)14(10)1-4-19(5-2-14)11(21)8-23-13-18-17-12(16)24-13/h9-10,20H,1-8,15H2,(H2,16,17)/t9-,10+/m0/s1
InChIKeyZZLAZORETGNZHO-VHSXEESVSA-N
XLogP-0.07
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 43842181
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 70777964
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8633678
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-fluorophenyl)propan-1-one
CID 72938779
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 70754698
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-methylphenyl)propan-1-one
CID 72849763
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 70726740
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
CID 86283754
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 118777229
(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97204777
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 154896563
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27880938

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 133110970) is 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is NCCO[C@@H]1C[C@H](O)C12CCN(C(=O)CSc1nnc(N)s1)CC2.
What is the InChIKey of 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is ZZLAZORETGNZHO-VHSXEESVSA-N. The full InChI is InChI=1S/C14H23N5O3S2/c15-3-6-22-10-7-9(20)14(10)1-4-19(5-2-14)11(21)8-23-13-18-17-12(16)24-13/h9-10,20H,1-8,15H2,(H2,16,17)/t9-,10+/m0/s1.
What are the key properties of 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 373.50 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 133110970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).