1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide

C19H27N3O3S — CID 131682443

IUPAC1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide
SMILESO=C(NC1CC2(CCN(Cc3ccccn3)CC2)C1)C1CCCS1(=O)=O
InChIInChI=1S/C19H27N3O3S/c23-18(17-5-3-11-26(17,24)25)21-16-12-19(13-16)6-9-22(10-7-19)14-15-4-1-2-8-20-15/h1-2,4,8,16-17H,3,5-7,9-14H2,(H,21,23)
InChIKeyYODHBCBRMJQUBV-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.52
Rot. Bonds4

About 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide

1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide (PubChem CID 131682443) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide
PubChem CID131682443
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide
SMILESO=C(NC1CC2(CCN(Cc3ccccn3)CC2)C1)C1CCCS1(=O)=O
InChIInChI=1S/C19H27N3O3S/c23-18(17-5-3-11-26(17,24)25)21-16-12-19(13-16)6-9-22(10-7-19)14-15-4-1-2-8-20-15/h1-2,4,8,16-17H,3,5-7,9-14H2,(H,21,23)
InChIKeyYODHBCBRMJQUBV-UHFFFAOYSA-N
XLogP1.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide with MolForge

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
propan-2-yl N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 171692609
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 74230828
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
CID 97451304
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125011492
N-cyclopropyl-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662516
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
3-(pyridin-2-ylmethyl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155847164
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide?
The IUPAC name of 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide (CID 131682443) is 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide?
The canonical SMILES for 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide is O=C(NC1CC2(CCN(Cc3ccccn3)CC2)C1)C1CCCS1(=O)=O.
What is the InChIKey of 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide?
The InChIKey is YODHBCBRMJQUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-18(17-5-3-11-26(17,24)25)21-16-12-19(13-16)6-9-22(10-7-19)14-15-4-1-2-8-20-15/h1-2,4,8,16-17H,3,5-7,9-14H2,(H,21,23).
What are the key properties of 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide?
1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide is sourced from PubChem (CID 131682443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).