2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol

C14H27NO2S — CID 79903949

IUPAC2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
SMILESCCC(CC)(CO)NC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NO2S/c1-3-13(4-2,10-16)15-12-5-7-17-14(9-12)6-8-18-11-14/h12,15-16H,3-11H2,1-2H3
InChIKeyWPOYOHLORVGOJT-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.18
Rot. Bonds5

About 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol

2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol (PubChem CID 79903949) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
PubChem CID79903949
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
SMILESCCC(CC)(CO)NC1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NO2S/c1-3-13(4-2,10-16)15-12-5-7-17-14(9-12)6-8-18-11-14/h12,15-16H,3-11H2,1-2H3
InChIKeyWPOYOHLORVGOJT-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79904025
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
CID 79904099
2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
CID 106176597
2-ethyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79902229
2-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79899395
[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
CID 106297981
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol (CID 79903949) is 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol is CCC(CC)(CO)NC1CCOC2(CCSC2)C1.
What is the InChIKey of 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol?
The InChIKey is WPOYOHLORVGOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-3-13(4-2,10-16)15-12-5-7-17-14(9-12)6-8-18-11-14/h12,15-16H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol?
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol has a molecular weight of 273.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol is sourced from PubChem (CID 79903949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).