N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

C14H27NOS2 — CID 79911407

IUPACN-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESCCNC(CSCC)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NOS2/c1-3-15-13(10-17-4-2)12-5-7-16-14(9-12)6-8-18-11-14/h12-13,15H,3-11H2,1-2H3
InChIKeyIPJCTOLBXOYQHO-UHFFFAOYSA-N
MW289.51 g/mol
LogP3.02
Rot. Bonds6

About N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79911407) has the molecular formula C14H27NOS2 and a molecular weight of 289.51 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79911407
Molecular FormulaC14H27NOS2
Molecular Weight289.51 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESCCNC(CSCC)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H27NOS2/c1-3-15-13(10-17-4-2)12-5-7-16-14(9-12)6-8-18-11-14/h12-13,15H,3-11H2,1-2H3
InChIKeyIPJCTOLBXOYQHO-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914201
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(oxolan-2-yl)propan-1-amine
CID 105017697
N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908697
2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79921924
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
CID 79912014
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-[(4-methylthiomorpholin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106445285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (CID 79911407) is N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is CCNC(CSCC)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is IPJCTOLBXOYQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS2/c1-3-15-13(10-17-4-2)12-5-7-16-14(9-12)6-8-18-11-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 289.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79911407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).