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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Related Compounds

CID 91923749
CID 91923749
CID 91923752
CID 91923752
CID 91923766
CID 91923766
CID 91923770
CID 91923770
CID 91923775
CID 91923775
CID 176053050
CID 176053050
CID 811481
CID 811481
CID 5116310
CID 5116310
CID 45097484
CID 45097484
CID 91923785
CID 91923785
CID 108942351
CID 108942351
CID 108942360
CID 108942360

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).