2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine

C14H27NO2S — CID 116718432

IUPAC2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
SMILESCCCC(OC)C(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NO2S/c1-3-4-12(16-2)13(15)11-5-7-17-14(9-11)6-8-18-10-14/h11-13H,3-10,15H2,1-2H3
InChIKeyAITWWFSIDGHYCM-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.43
Rot. Bonds5

About 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine

2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine (PubChem CID 116718432) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
PubChem CID116718432
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine
SMILESCCCC(OC)C(N)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NO2S/c1-3-4-12(16-2)13(15)11-5-7-17-14(9-11)6-8-18-10-14/h11-13H,3-10,15H2,1-2H3
InChIKeyAITWWFSIDGHYCM-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 116718593
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 116726119
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79912064
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
2-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116719811
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116758405
(4-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017824
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The IUPAC name of 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine (CID 116718432) is 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine.
What is the SMILES notation for 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The canonical SMILES for 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine is CCCC(OC)C(N)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
The InChIKey is AITWWFSIDGHYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-3-4-12(16-2)13(15)11-5-7-17-14(9-11)6-8-18-10-14/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine?
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-amine is sourced from PubChem (CID 116718432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).