8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C11H17N5O4S — CID 146072777

IUPAC8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)(=O)C12CCN(C(=O)CCN=[N+]=[N-])CC2
InChIInChI=1S/C11H17N5O4S/c1-15-10(18)8-21(19,20)11(15)3-6-16(7-4-11)9(17)2-5-13-14-12/h2-8H2,1H3
InChIKeyGVOYQNHZVKPCDW-UHFFFAOYSA-N
MW315.36 g/mol
LogP-0.11
Rot. Bonds3

About 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 146072777) has the molecular formula C11H17N5O4S and a molecular weight of 315.36 g/mol. Its IUPAC name is 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID146072777
Molecular FormulaC11H17N5O4S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)(=O)C12CCN(C(=O)CCN=[N+]=[N-])CC2
InChIInChI=1S/C11H17N5O4S/c1-15-10(18)8-21(19,20)11(15)3-6-16(7-4-11)9(17)2-5-13-14-12/h2-8H2,1H3
InChIKeyGVOYQNHZVKPCDW-UHFFFAOYSA-N
XLogP-0.11
TPSA123.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 146072777) is 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CN1C(=O)CS(=O)(=O)C12CCN(C(=O)CCN=[N+]=[N-])CC2.
What is the InChIKey of 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GVOYQNHZVKPCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S/c1-15-10(18)8-21(19,20)11(15)3-6-16(7-4-11)9(17)2-5-13-14-12/h2-8H2,1H3.
What are the key properties of 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 315.36 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-azidopropanoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 146072777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).