1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol

C10H19NO2S — CID 156507344

IUPAC1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol
SMILESOC(CS)CN1CCC2(CC1)COC2
InChIInChI=1S/C10H19NO2S/c12-9(6-14)5-11-3-1-10(2-4-11)7-13-8-10/h9,12,14H,1-8H2
InChIKeySMXVJDIGRDUTEW-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.39
Rot. Bonds3

About 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol

1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol (PubChem CID 156507344) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol
PubChem CID156507344
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol
SMILESOC(CS)CN1CCC2(CC1)COC2
InChIInChI=1S/C10H19NO2S/c12-9(6-14)5-11-3-1-10(2-4-11)7-13-8-10/h9,12,14H,1-8H2
InChIKeySMXVJDIGRDUTEW-UHFFFAOYSA-N
XLogP0.39
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.39
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

1-(1-methylpiperidin-4-yl)-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)propan-2-ol
CID 142096829
1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol
CID 112561635
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-ol
CID 63158943
1-(8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 63987208
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
1-(3-azaspiro[5.5]undecan-3-yl)-3-(cyclopropylamino)propan-2-ol
CID 62937041
1-(2,7-diazaspiro[4.4]nonan-2-yl)butan-2-ol
CID 130525842
1-(3-bromo-2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 112561820
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol?
The IUPAC name of 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol (CID 156507344) is 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol is OC(CS)CN1CCC2(CC1)COC2.
What is the InChIKey of 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol?
The InChIKey is SMXVJDIGRDUTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-9(6-14)5-11-3-1-10(2-4-11)7-13-8-10/h9,12,14H,1-8H2.
What are the key properties of 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol?
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol has a molecular weight of 217.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-sulfanylpropan-2-ol is sourced from PubChem (CID 156507344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).