N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine

C16H29NOS — CID 105166263

IUPACN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H29NOS/c1-17-15(11-13-4-9-19-10-5-13)14-3-8-18-16(12-14)6-2-7-16/h13-15,17H,2-12H2,1H3
InChIKeyNOGFGDQDMGOCMU-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.46
Rot. Bonds4

About N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine

N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine (PubChem CID 105166263) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine
PubChem CID105166263
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H29NOS/c1-17-15(11-13-4-9-19-10-5-13)14-3-8-18-16(12-14)6-2-7-16/h13-15,17H,2-12H2,1H3
InChIKeyNOGFGDQDMGOCMU-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-(oxolan-2-yl)ethanamine
CID 79914621
[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105170225
2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169207
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327
1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine
CID 105187447
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944
1-(1,4-dithian-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79965869

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine (CID 105166263) is N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine?
The InChIKey is NOGFGDQDMGOCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-17-15(11-13-4-9-19-10-5-13)14-3-8-18-16(12-14)6-2-7-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine?
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine has a molecular weight of 283.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105166263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).