N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide

C17H23N3O3S — CID 154770560

IUPACN-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide
SMILESO=C(Nc1ccc(C2CC2)cn1)N1CCCC2(CCS(=O)(=O)C2)C1
InChIInChI=1S/C17H23N3O3S/c21-16(19-15-5-4-14(10-18-15)13-2-3-13)20-8-1-6-17(11-20)7-9-24(22,23)12-17/h4-5,10,13H,1-3,6-9,11-12H2,(H,18,19,21)
InChIKeyCNZUHWBBDZALTH-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.39
Rot. Bonds2

About N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide

N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 154770560) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID154770560
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide
SMILESO=C(Nc1ccc(C2CC2)cn1)N1CCCC2(CCS(=O)(=O)C2)C1
InChIInChI=1S/C17H23N3O3S/c21-16(19-15-5-4-14(10-18-15)13-2-3-13)20-8-1-6-17(11-20)7-9-24(22,23)12-17/h4-5,10,13H,1-3,6-9,11-12H2,(H,18,19,21)
InChIKeyCNZUHWBBDZALTH-UHFFFAOYSA-N
XLogP2.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide (CID 154770560) is N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide is O=C(Nc1ccc(C2CC2)cn1)N1CCCC2(CCS(=O)(=O)C2)C1.
What is the InChIKey of N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is CNZUHWBBDZALTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-16(19-15-5-4-14(10-18-15)13-2-3-13)20-8-1-6-17(11-20)7-9-24(22,23)12-17/h4-5,10,13H,1-3,6-9,11-12H2,(H,18,19,21).
What are the key properties of N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide?
N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 154770560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).