N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine

C16H27N3S — CID 103917504

IUPACN-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCN2CCSCC2)c(C)n1
InChIInChI=1S/C16H27N3S/c1-12-11-13(2)18-15(4)16(12)14(3)17-5-6-19-7-9-20-10-8-19/h11,14,17H,5-10H2,1-4H3
InChIKeyJJPSSAGCUWMZKZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.71
Rot. Bonds5

About N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine

N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine (PubChem CID 103917504) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
PubChem CID103917504
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
SMILESCc1cc(C)c(C(C)NCCN2CCSCC2)c(C)n1
InChIInChI=1S/C16H27N3S/c1-12-11-13(2)18-15(4)16(12)14(3)17-5-6-19-7-9-20-10-8-19/h11,14,17H,5-10H2,1-4H3
InChIKeyJJPSSAGCUWMZKZ-UHFFFAOYSA-N
XLogP2.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 61240883
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103783303
5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324981
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 114399660
3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 113351582
2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 113234720
4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
CID 104582416
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012
5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115516808
4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 106324963

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine (CID 103917504) is N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine is Cc1cc(C)c(C(C)NCCN2CCSCC2)c(C)n1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
The InChIKey is JJPSSAGCUWMZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12-11-13(2)18-15(4)16(12)14(3)17-5-6-19-7-9-20-10-8-19/h11,14,17H,5-10H2,1-4H3.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine?
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 103917504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).