4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane

C7H14N2OS — CID 91336838

IUPAC4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane
SMILESSN1CCOC12CCCNC2
InChIInChI=1S/C7H14N2OS/c11-9-4-5-10-7(9)2-1-3-8-6-7/h8,11H,1-6H2
InChIKeyBTZMQCNZTYPQMA-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.24
Rot. Bonds

About 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane

4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane (PubChem CID 91336838) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane
PubChem CID91336838
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane
SMILESSN1CCOC12CCCNC2
InChIInChI=1S/C7H14N2OS/c11-9-4-5-10-7(9)2-1-3-8-6-7/h8,11H,1-6H2
InChIKeyBTZMQCNZTYPQMA-UHFFFAOYSA-N
XLogP0.24
TPSA24.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-sulfanyl-1-oxa-9-azaspiro[3.5]nonane
CID 146386656
5-ethyl-1-oxa-5,8-diazaspiro[5.5]undecan-4-one
CID 58245500
[4-(1-oxa-4,9-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl] cyanate
CID 144828045
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 130315957
(6S)-4-cyclohexyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372335
(6S)-4-ethyl-1-oxa-4,8-diazaspiro[5.5]undecan-5-one
CID 129495417
8-methyl-5-oxa-8-azaspiro[3.4]octane
CID 123313806
1-oxa-9-azaspiro[3.6]decane
CID 118209885
1,1-dimethyl-2-oxa-9-azaspiro[4.5]decane
CID 126992193
1-oxa-9-azaspiro[4.5]dec-3-ene
CID 54402162

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane?
The IUPAC name of 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane (CID 91336838) is 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane.
What is the SMILES notation for 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane?
The canonical SMILES for 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane is SN1CCOC12CCCNC2.
What is the InChIKey of 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane?
The InChIKey is BTZMQCNZTYPQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c11-9-4-5-10-7(9)2-1-3-8-6-7/h8,11H,1-6H2.
What are the key properties of 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane?
4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane has a molecular weight of 174.27 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-1-oxa-4,9-diazaspiro[4.5]decane is sourced from PubChem (CID 91336838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).