2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol

C13H25NO3S — CID 79904024

IUPAC2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H25NO3S/c15-5-8-16-7-4-14-12-1-6-17-13(11-12)2-9-18-10-3-13/h12,14-15H,1-11H2
InChIKeyMOWVSWMEHYTVTN-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.03
Rot. Bonds6

About 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol

2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol (PubChem CID 79904024) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
PubChem CID79904024
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H25NO3S/c15-5-8-16-7-4-14-12-1-6-17-13(11-12)2-9-18-10-3-13/h12,14-15H,1-11H2
InChIKeyMOWVSWMEHYTVTN-UHFFFAOYSA-N
XLogP1.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 114467588
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-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895357
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880
N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
CID 79895464
2-[2-(oxolan-3-ylamino)ethoxy]ethanol
CID 63331737

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol (CID 79904024) is 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol is OCCOCCNC1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol?
The InChIKey is MOWVSWMEHYTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c15-5-8-16-7-4-14-12-1-6-17-13(11-12)2-9-18-10-3-13/h12,14-15H,1-11H2.
What are the key properties of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol?
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol has a molecular weight of 275.41 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol is sourced from PubChem (CID 79904024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).