3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol

C14H27NO2S — CID 113291179

IUPAC3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
SMILESCN(C)CCC(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H27NO2S/c1-15(2)7-3-13(16)12-4-8-17-14(11-12)5-9-18-10-6-14/h12-13,16H,3-11H2,1-2H3
InChIKeyKERDYUZAORJLBT-UHFFFAOYSA-N
MW273.44 g/mol
LogP1.99
Rot. Bonds4

About 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol

3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol (PubChem CID 113291179) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
PubChem CID113291179
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
SMILESCN(C)CCC(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H27NO2S/c1-15(2)7-3-13(16)12-4-8-17-14(11-12)5-9-18-10-6-14/h12-13,16H,3-11H2,1-2H3
InChIKeyKERDYUZAORJLBT-UHFFFAOYSA-N
XLogP1.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105259141
4,4,4-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 79954233
2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79921924
2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79924056
3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 103027641
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
CID 79913062
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol (CID 113291179) is 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol is CN(C)CCC(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol?
The InChIKey is KERDYUZAORJLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-15(2)7-3-13(16)12-4-8-17-14(11-12)5-9-18-10-6-14/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol?
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol has a molecular weight of 273.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol is sourced from PubChem (CID 113291179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).