2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine

C14H27NO2S — CID 116726119

IUPAC2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCCOC(C)(C)C(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NO2S/c1-4-16-13(2,3)12(15)11-5-7-17-14(9-11)6-8-18-10-14/h11-12H,4-10,15H2,1-3H3
InChIKeyRFNAXJHPNJUXFP-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.43
Rot. Bonds4

About 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine

2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 116726119) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID116726119
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCCOC(C)(C)C(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NO2S/c1-4-16-13(2,3)12(15)11-5-7-17-14(9-11)6-8-18-10-14/h11-12H,4-10,15H2,1-3H3
InChIKeyRFNAXJHPNJUXFP-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116758405
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
[2-ethoxy-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 105273997
2-methyl-2-morpholin-4-yl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79906960
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
CID 116718432
(4-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017824
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine (CID 116726119) is 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine is CCOC(C)(C)C(N)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is RFNAXJHPNJUXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-4-16-13(2,3)12(15)11-5-7-17-14(9-11)6-8-18-10-14/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine?
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 116726119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).