(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C18H19N3O2S — CID 97469996

IUPAC(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)c3ccsc3)CC2)N1
InChIInChI=1S/C18H19N3O2S/c22-16-11-15(13-1-6-19-7-2-13)18(20-16)4-8-21(9-5-18)17(23)14-3-10-24-12-14/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,20,22)/t15-/m0/s1
InChIKeyUSLSQSISXANJPY-HNNXBMFYSA-N
MW341.44 g/mol
LogP2.42
Rot. Bonds2

About (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469996) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469996
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)c3ccsc3)CC2)N1
InChIInChI=1S/C18H19N3O2S/c22-16-11-15(13-1-6-19-7-2-13)18(20-16)4-8-21(9-5-18)17(23)14-3-10-24-12-14/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,20,22)/t15-/m0/s1
InChIKeyUSLSQSISXANJPY-HNNXBMFYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546
(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
8-(4-methylbenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070711
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
8-(2-fluorobenzoyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131648127
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131657887
(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391832
(4R)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470037
4-(1-methylpyrazol-4-yl)-8-(pyridine-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829009
4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985

Frequently Asked Questions

What is the IUPAC name of (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97469996) is (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1C[C@@H](c2ccncc2)C2(CCN(C(=O)c3ccsc3)CC2)N1.
What is the InChIKey of (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is USLSQSISXANJPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16-11-15(13-1-6-19-7-2-13)18(20-16)4-8-21(9-5-18)17(23)14-3-10-24-12-14/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H,20,22)/t15-/m0/s1.
What are the key properties of (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 341.44 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).