4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C12H21N3O3S — CID 110197132

IUPAC4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCCNC(=O)N1CCC2(CC1)N(C)C(=O)CS2=O
InChIInChI=1S/C12H21N3O3S/c1-3-6-13-11(17)15-7-4-12(5-8-15)14(2)10(16)9-19(12)18/h3-9H2,1-2H3,(H,13,17)
InChIKeyOHTIFSXDWZBLTI-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.12
Rot. Bonds2

About 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 110197132) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID110197132
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCCNC(=O)N1CCC2(CC1)N(C)C(=O)CS2=O
InChIInChI=1S/C12H21N3O3S/c1-3-6-13-11(17)15-7-4-12(5-8-15)14(2)10(16)9-19(12)18/h3-9H2,1-2H3,(H,13,17)
InChIKeyOHTIFSXDWZBLTI-UHFFFAOYSA-N
XLogP0.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 110197132) is 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CCCNC(=O)N1CCC2(CC1)N(C)C(=O)CS2=O.
What is the InChIKey of 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is OHTIFSXDWZBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-6-13-11(17)15-7-4-12(5-8-15)14(2)10(16)9-19(12)18/h3-9H2,1-2H3,(H,13,17).
What are the key properties of 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxo-N-propyl-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 110197132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).