(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H18N2O2S — CID 97392354

IUPAC(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cccs1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1
InChIInChI=1S/C18H18N2O2S/c21-16(15-7-4-10-23-15)20-11-14(13-5-2-1-3-6-13)18(12-20)8-9-19-17(18)22/h1-7,10,14H,8-9,11-12H2,(H,19,22)/t14-,18+/m0/s1
InChIKeyFWWRCUGEYRJHRO-KBXCAEBGSA-N
MW326.42 g/mol
LogP2.49
Rot. Bonds2

About (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97392354) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97392354
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cccs1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1
InChIInChI=1S/C18H18N2O2S/c21-16(15-7-4-10-23-15)20-11-14(13-5-2-1-3-6-13)18(12-20)8-9-19-17(18)22/h1-7,10,14H,8-9,11-12H2,(H,19,22)/t14-,18+/m0/s1
InChIKeyFWWRCUGEYRJHRO-KBXCAEBGSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-9-phenyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 127023256
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880
[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 99768097
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
(4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
CID 8991295
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471851
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 72908088
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97392354) is (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1cccs1)N1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1.
What is the InChIKey of (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is FWWRCUGEYRJHRO-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-16(15-7-4-10-23-15)20-11-14(13-5-2-1-3-6-13)18(12-20)8-9-19-17(18)22/h1-7,10,14H,8-9,11-12H2,(H,19,22)/t14-,18+/m0/s1.
What are the key properties of (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 326.42 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97392354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).