2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine

C11H20N4S — CID 103595877

IUPAC2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)Cc1ccn(C)n1
InChIInChI=1S/C11H20N4S/c1-14-5-6-16-8-11(14)10(12)7-9-3-4-15(2)13-9/h3-4,10-11H,5-8,12H2,1-2H3
InChIKeyVTSYXEZMPIICTR-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.34
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine

2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 103595877) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID103595877
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCN1CCSCC1C(N)Cc1ccn(C)n1
InChIInChI=1S/C11H20N4S/c1-14-5-6-16-8-11(14)10(12)7-9-3-4-15(2)13-9/h3-4,10-11H,5-8,12H2,1-2H3
InChIKeyVTSYXEZMPIICTR-UHFFFAOYSA-N
XLogP0.34
TPSA47.08 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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105175095
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106444379
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444601
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876973
[2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446532
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894
1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine
CID 103595850
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 106444474
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877822

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 103595877) is 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine is CN1CCSCC1C(N)Cc1ccn(C)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is VTSYXEZMPIICTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-14-5-6-16-8-11(14)10(12)7-9-3-4-15(2)13-9/h3-4,10-11H,5-8,12H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 240.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 103595877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).