N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H27N3S — CID 114173962

IUPACN-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCN1CCSCC1
InChIInChI=1S/C14H27N3S/c1-15-12-10-13-2-3-14(11-12)17(13)5-4-16-6-8-18-9-7-16/h12-15H,2-11H2,1H3
InChIKeyJFJYARPIIYJCHS-UHFFFAOYSA-N
MW269.46 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114173962) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114173962
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCN1CCSCC1
InChIInChI=1S/C14H27N3S/c1-15-12-10-13-2-3-14(11-12)17(13)5-4-16-6-8-18-9-7-16/h12-15H,2-11H2,1H3
InChIKeyJFJYARPIIYJCHS-UHFFFAOYSA-N
XLogP1.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-fluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130504670
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712744
N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 114173850
N-methyl-1-[1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 103815455
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106812
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine
CID 80669048
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 114173962) is N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCN1CCSCC1.
What is the InChIKey of N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JFJYARPIIYJCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-15-12-10-13-2-3-14(11-12)17(13)5-4-16-6-8-18-9-7-16/h12-15H,2-11H2,1H3.
What are the key properties of N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 269.46 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114173962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).