N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

C12H23NOS — CID 79914536

IUPACN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESCNC(C)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H23NOS/c1-10(13-2)11-3-6-14-12(9-11)4-7-15-8-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyUQPHLSRZXNYACZ-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.29
Rot. Bonds2

About N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 79914536) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID79914536
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESCNC(C)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H23NOS/c1-10(13-2)11-3-6-14-12(9-11)4-7-15-8-5-12/h10-11,13H,3-9H2,1-2H3
InChIKeyUQPHLSRZXNYACZ-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107004814
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105018040
2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79915212
2-methoxy-N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79911973
N-ethyl-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914163
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanamine
CID 79914621
2-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116716712
N-ethyl-2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81015584

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (CID 79914536) is N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is CNC(C)C1CCOC2(CCSCC2)C1.
What is the InChIKey of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is UQPHLSRZXNYACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10(13-2)11-3-6-14-12(9-11)4-7-15-8-5-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 229.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 79914536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).