N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine

C8H16N2S — CID 84766334

IUPACN-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine
SMILESCNCCN1CC2CC(C1)S2
InChIInChI=1S/C8H16N2S/c1-9-2-3-10-5-7-4-8(6-10)11-7/h7-9H,2-6H2,1H3
InChIKeyRWXITJOPNKNNHG-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.40
Rot. Bonds3

About N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine

N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine (PubChem CID 84766334) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine
PubChem CID84766334
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine
SMILESCNCCN1CC2CC(C1)S2
InChIInChI=1S/C8H16N2S/c1-9-2-3-10-5-7-4-8(6-10)11-7/h7-9H,2-6H2,1H3
InChIKeyRWXITJOPNKNNHG-UHFFFAOYSA-N
XLogP0.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Piperidinomethyl)thiomorpholine
CID 18915121
6-Thia-3-azabicyclo[3.1.1]heptane
CID 20581440
4-Piperidin-4-ylsulfanylpiperidine
CID 21516949
(3R)-3-(piperidin-1-ylmethyl)thiomorpholine
CID 53863420
4-(3-Piperazin-1-ylpropyl)thiomorpholine
CID 57031833
8-Tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane
CID 58245134
5-Tert-butyl-1-thia-5,8-diazaspiro[5.5]undecane
CID 58245167
5-Ethyl-1-thia-5,8-diazaspiro[5.5]undecane
CID 58245599
4-Piperidin-3-ylthiomorpholine
CID 61685172
2-Piperidin-1-ylthiomorpholine
CID 67610546
8-Methyl-1-thia-5,8-diazaspiro[5.5]undecane
CID 81714181
5-Methyl-1-thia-5,8-diazaspiro[5.5]undecane
CID 89972797

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine (CID 84766334) is N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine is CNCCN1CC2CC(C1)S2.
What is the InChIKey of N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine?
The InChIKey is RWXITJOPNKNNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-9-2-3-10-5-7-4-8(6-10)11-7/h7-9H,2-6H2,1H3.
What are the key properties of N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine?
N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine has a molecular weight of 172.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)ethanamine is sourced from PubChem (CID 84766334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).