8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane

C11H21NOS2 — CID 167242816

IUPAC8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
SMILESCC(C)N1CCC(CSS)CC12COC2
InChIInChI=1S/C11H21NOS2/c1-9(2)12-4-3-10(6-15-14)5-11(12)7-13-8-11/h9-10,14H,3-8H2,1-2H3
InChIKeyXLGKXBFWHGKQPJ-UHFFFAOYSA-N
MW247.43 g/mol
LogP2.45
Rot. Bonds3

About 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane

8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane (PubChem CID 167242816) has the molecular formula C11H21NOS2 and a molecular weight of 247.43 g/mol. Its IUPAC name is 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
PubChem CID167242816
Molecular FormulaC11H21NOS2
Molecular Weight247.43 g/mol
Exact Mass247.11
IUPAC Name8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane
SMILESCC(C)N1CCC(CSS)CC12COC2
InChIInChI=1S/C11H21NOS2/c1-9(2)12-4-3-10(6-15-14)5-11(12)7-13-8-11/h9-10,14H,3-8H2,1-2H3
InChIKeyXLGKXBFWHGKQPJ-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
(5R)-6-propan-2-yl-2-oxa-6-azaspiro[4.5]decane
CID 170024825
2-propan-2-ylspiro[3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridine-1,3'-oxetane]
CID 138726866
5-[1-(1-methyl-1-azaspiro[4.4]nonan-3-yl)propan-2-yl]-7-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)propyl]-2-oxa-5-azaspiro[3.4]octane
CID 166955916
4-ethyl-2,2-dimethyl-1-propan-2-ylpyrrolidine
CID 170052638
3-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]oxetan-3-amine
CID 138459698
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane
CID 163540025
1-[4-[(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]butan-2-one
CID 176581054
8-[(5-methyl-2-oxa-5-azaspiro[3.5]nonan-8-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 135179079
4-butan-2-yl-2,2-difluoro-1-propan-2-ylpiperidine
CID 155044430
ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane
CID 153357180
CID 176557161
CID 176557161

Frequently Asked Questions

What is the IUPAC name of 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane?
The IUPAC name of 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane (CID 167242816) is 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane.
What is the SMILES notation for 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane?
The canonical SMILES for 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane is CC(C)N1CCC(CSS)CC12COC2.
What is the InChIKey of 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane?
The InChIKey is XLGKXBFWHGKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS2/c1-9(2)12-4-3-10(6-15-14)5-11(12)7-13-8-11/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane?
8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane has a molecular weight of 247.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(disulfanylmethyl)-5-propan-2-yl-2-oxa-5-azaspiro[3.5]nonane is sourced from PubChem (CID 167242816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).