(5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C20H23N3O2S — CID 42197673

IUPAC(5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccsc1C(=O)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C20H23N3O2S/c1-15-5-11-26-17(15)18(24)23-10-7-20(14-23)6-3-9-22(19(20)25)13-16-4-2-8-21-12-16/h2,4-5,8,11-12H,3,6-7,9-10,13-14H2,1H3/t20-/m0/s1
InChIKeyZVAXGNRJEDAHLI-FQEVSTJZSA-N
MW369.49 g/mol
LogP3.11
Rot. Bonds3

About (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42197673) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42197673
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccsc1C(=O)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C20H23N3O2S/c1-15-5-11-26-17(15)18(24)23-10-7-20(14-23)6-3-9-22(19(20)25)13-16-4-2-8-21-12-16/h2,4-5,8,11-12H,3,6-7,9-10,13-14H2,1H3/t20-/m0/s1
InChIKeyZVAXGNRJEDAHLI-FQEVSTJZSA-N
XLogP3.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42197673) is (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ccsc1C(=O)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1.
What is the InChIKey of (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZVAXGNRJEDAHLI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-5-11-26-17(15)18(24)23-10-7-20(14-23)6-3-9-22(19(20)25)13-16-4-2-8-21-12-16/h2,4-5,8,11-12H,3,6-7,9-10,13-14H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 369.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-methylthiophene-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42197673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).