N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine

C12H19N3S — CID 82916479

IUPACN-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine
SMILESCN(Cc1ccncc1)CC1CSCCN1
InChIInChI=1S/C12H19N3S/c1-15(8-11-2-4-13-5-3-11)9-12-10-16-7-6-14-12/h2-5,12,14H,6-10H2,1H3
InChIKeyGQLGATGLGNCSIM-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.22
Rot. Bonds4

About N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine

N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine (PubChem CID 82916479) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine
PubChem CID82916479
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine
SMILESCN(Cc1ccncc1)CC1CSCCN1
InChIInChI=1S/C12H19N3S/c1-15(8-11-2-4-13-5-3-11)9-12-10-16-7-6-14-12/h2-5,12,14H,6-10H2,1H3
InChIKeyGQLGATGLGNCSIM-UHFFFAOYSA-N
XLogP1.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916326
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102775633
1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 100910771
N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82916858
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
1-(4-chlorophenyl)-N-methyl-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82917199
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-(thiomorpholin-3-ylmethyl)methanamine
CID 82917200

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine (CID 82916479) is N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine is CN(Cc1ccncc1)CC1CSCCN1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine?
The InChIKey is GQLGATGLGNCSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15(8-11-2-4-13-5-3-11)9-12-10-16-7-6-14-12/h2-5,12,14H,6-10H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine?
N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine has a molecular weight of 237.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-1-thiomorpholin-3-ylmethanamine is sourced from PubChem (CID 82916479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).