2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol

C14H27NO2S — CID 79919655

IUPAC2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
SMILESCCCN(CCO)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H27NO2S/c1-2-6-15(7-8-16)13-3-9-17-14(12-13)4-10-18-11-5-14/h13,16H,2-12H2,1H3
InChIKeyXJONJMDXGYFMSR-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.14
Rot. Bonds5

About 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol

2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol (PubChem CID 79919655) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
PubChem CID79919655
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
SMILESCCCN(CCO)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H27NO2S/c1-2-6-15(7-8-16)13-3-9-17-14(12-13)4-10-18-11-5-14/h13,16H,2-12H2,1H3
InChIKeyXJONJMDXGYFMSR-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N'-propylpropane-1,3-diamine
CID 79904584
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]acetonitrile
CID 79903096
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
ethyl 2-[ethyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920431
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
N'-ethyl-2,2-dimethyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901501
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
CID 79903017

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol?
The IUPAC name of 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol (CID 79919655) is 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol.
What is the SMILES notation for 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol?
The canonical SMILES for 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol is CCCN(CCO)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol?
The InChIKey is XJONJMDXGYFMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-6-15(7-8-16)13-3-9-17-14(12-13)4-10-18-11-5-14/h13,16H,2-12H2,1H3.
What are the key properties of 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol?
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol has a molecular weight of 273.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol is sourced from PubChem (CID 79919655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).