3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol

C16H31NO2S — CID 106285723

IUPAC3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H31NO2S/c1-3-13(4-2)15(18)12-17-14-5-8-19-16(11-14)6-9-20-10-7-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyGDUSEUHJWVPITM-UHFFFAOYSA-N
MW301.50 g/mol
LogP2.82
Rot. Bonds6

About 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol

3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol (PubChem CID 106285723) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
PubChem CID106285723
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H31NO2S/c1-3-13(4-2)15(18)12-17-14-5-8-19-16(11-14)6-9-20-10-7-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyGDUSEUHJWVPITM-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
1-[(2,2-dimethyloxan-4-yl)amino]-3-ethylpentan-2-ol
CID 106284664
2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide
CID 106174800
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
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
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N-(2-methyloxolan-3-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82725580
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol (CID 106285723) is 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol is CCC(CC)C(O)CNC1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol?
The InChIKey is GDUSEUHJWVPITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-3-13(4-2)15(18)12-17-14-5-8-19-16(11-14)6-9-20-10-7-16/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol?
3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol has a molecular weight of 301.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol is sourced from PubChem (CID 106285723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).