N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine

C11H20N4S — CID 106444780

IUPACN-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCNC(c1ccnn1C)C1CSCCN1C
InChIInChI=1S/C11H20N4S/c1-12-11(9-4-5-13-15(9)3)10-8-16-7-6-14(10)2/h4-5,10-12H,6-8H2,1-3H3
InChIKeyIOKUEFOLGWYBEI-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.73
Rot. Bonds3

About N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine

N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444780) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444780
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCNC(c1ccnn1C)C1CSCCN1C
InChIInChI=1S/C11H20N4S/c1-12-11(9-4-5-13-15(9)3)10-8-16-7-6-14(10)2/h4-5,10-12H,6-8H2,1-3H3
InChIKeyIOKUEFOLGWYBEI-UHFFFAOYSA-N
XLogP0.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444901
1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444731
(2-ethylpyrazol-3-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595649
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444784
1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444894
N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858379
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444969
[(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 106446511
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444711
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444831
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189956

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine (CID 106444780) is N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine is CNC(c1ccnn1C)C1CSCCN1C.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is IOKUEFOLGWYBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-12-11(9-4-5-13-15(9)3)10-8-16-7-6-14(10)2/h4-5,10-12H,6-8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine?
N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 240.38 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).