(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C19H21N3O2S — CID 97490135

IUPAC(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C19H21N3O2S/c23-17(16-4-10-25-13-16)22-8-2-5-19(14-22)6-9-21(18(19)24)12-15-3-1-7-20-11-15/h1,3-4,7,10-11,13H,2,5-6,8-9,12,14H2/t19-/m0/s1
InChIKeyKQCGUMGVUZPUNE-IBGZPJMESA-N
MW355.46 g/mol
LogP2.80
Rot. Bonds3

About (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490135) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490135
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C19H21N3O2S/c23-17(16-4-10-25-13-16)22-8-2-5-19(14-22)6-9-21(18(19)24)12-15-3-1-7-20-11-15/h1,3-4,7,10-11,13H,2,5-6,8-9,12,14H2/t19-/m0/s1
InChIKeyKQCGUMGVUZPUNE-IBGZPJMESA-N
XLogP2.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
(5R)-7-[(3-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42511203
(5R)-9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490097
9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131645726
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373851
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371896
2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45233209
(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896931
9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131641976
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373943
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97490135) is (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(c1ccsc1)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1.
What is the InChIKey of (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is KQCGUMGVUZPUNE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17(16-4-10-25-13-16)22-8-2-5-19(14-22)6-9-21(18(19)24)12-15-3-1-7-20-11-15/h1,3-4,7,10-11,13H,2,5-6,8-9,12,14H2/t19-/m0/s1.
What are the key properties of (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 355.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).