9-azido-6-oxa-2-thiaspiro[4.5]decane

C8H13N3OS — CID 79894725

IUPAC9-azido-6-oxa-2-thiaspiro[4.5]decane
SMILES[N-]=[N+]=NC1CCOC2(CCSC2)C1
InChIInChI=1S/C8H13N3OS/c9-11-10-7-1-3-12-8(5-7)2-4-13-6-8/h7H,1-6H2
InChIKeyLBVFTFUKMKYQHX-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.35
Rot. Bonds1

About 9-azido-6-oxa-2-thiaspiro[4.5]decane

9-azido-6-oxa-2-thiaspiro[4.5]decane (PubChem CID 79894725) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 9-azido-6-oxa-2-thiaspiro[4.5]decane.

Molecular Properties

Compound Name9-azido-6-oxa-2-thiaspiro[4.5]decane
PubChem CID79894725
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name9-azido-6-oxa-2-thiaspiro[4.5]decane
SMILES[N-]=[N+]=NC1CCOC2(CCSC2)C1
InChIInChI=1S/C8H13N3OS/c9-11-10-7-1-3-12-8(5-7)2-4-13-6-8/h7H,1-6H2
InChIKeyLBVFTFUKMKYQHX-UHFFFAOYSA-N
XLogP2.35
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 83261331
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81385058
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974

Frequently Asked Questions

What is the IUPAC name of 9-azido-6-oxa-2-thiaspiro[4.5]decane?
The IUPAC name of 9-azido-6-oxa-2-thiaspiro[4.5]decane (CID 79894725) is 9-azido-6-oxa-2-thiaspiro[4.5]decane.
What is the SMILES notation for 9-azido-6-oxa-2-thiaspiro[4.5]decane?
The canonical SMILES for 9-azido-6-oxa-2-thiaspiro[4.5]decane is [N-]=[N+]=NC1CCOC2(CCSC2)C1.
What is the InChIKey of 9-azido-6-oxa-2-thiaspiro[4.5]decane?
The InChIKey is LBVFTFUKMKYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c9-11-10-7-1-3-12-8(5-7)2-4-13-6-8/h7H,1-6H2.
What are the key properties of 9-azido-6-oxa-2-thiaspiro[4.5]decane?
9-azido-6-oxa-2-thiaspiro[4.5]decane has a molecular weight of 199.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azido-6-oxa-2-thiaspiro[4.5]decane is sourced from PubChem (CID 79894725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).