N,N-dimethyl-2-thiomorpholin-3-ylethanamine

C8H18N2S — CID 66421326

IUPACN,N-dimethyl-2-thiomorpholin-3-ylethanamine
SMILESCN(C)CCC1CSCCN1
InChIInChI=1S/C8H18N2S/c1-10(2)5-3-8-7-11-6-4-9-8/h8-9H,3-7H2,1-2H3
InChIKeyJADYGQQBQOHSDW-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.64
Rot. Bonds3

About N,N-dimethyl-2-thiomorpholin-3-ylethanamine

N,N-dimethyl-2-thiomorpholin-3-ylethanamine (PubChem CID 66421326) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N,N-dimethyl-2-thiomorpholin-3-ylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-thiomorpholin-3-ylethanamine
PubChem CID66421326
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN,N-dimethyl-2-thiomorpholin-3-ylethanamine
SMILESCN(C)CCC1CSCCN1
InChIInChI=1S/C8H18N2S/c1-10(2)5-3-8-7-11-6-4-9-8/h8-9H,3-7H2,1-2H3
InChIKeyJADYGQQBQOHSDW-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dimethylthiomorpholine
CID 54594327
2,3,5,6-Tetramethylthio-morpholine
CID 57044051
1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420357
3,3,3-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420561
2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine
CID 66421134
2,2,2-trifluoro-N-(2-thiomorpholin-3-ylethyl)ethanamine
CID 66422525
N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 66422570
N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 66422571

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-thiomorpholin-3-ylethanamine?
The IUPAC name of N,N-dimethyl-2-thiomorpholin-3-ylethanamine (CID 66421326) is N,N-dimethyl-2-thiomorpholin-3-ylethanamine.
What is the SMILES notation for N,N-dimethyl-2-thiomorpholin-3-ylethanamine?
The canonical SMILES for N,N-dimethyl-2-thiomorpholin-3-ylethanamine is CN(C)CCC1CSCCN1.
What is the InChIKey of N,N-dimethyl-2-thiomorpholin-3-ylethanamine?
The InChIKey is JADYGQQBQOHSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-10(2)5-3-8-7-11-6-4-9-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-thiomorpholin-3-ylethanamine?
N,N-dimethyl-2-thiomorpholin-3-ylethanamine has a molecular weight of 174.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-thiomorpholin-3-ylethanamine is sourced from PubChem (CID 66421326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).