2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone

C11H18N4OS — CID 115290754

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone
SMILESCC1CSCCN1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H18N4OS/c1-8-7-17-4-3-15(8)11(16)10(12)9-5-13-14(2)6-9/h5-6,8,10H,3-4,7,12H2,1-2H3
InChIKeyICWLRRXOIGPFOU-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.38
Rot. Bonds2

About 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone

2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone (PubChem CID 115290754) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone
PubChem CID115290754
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone
SMILESCC1CSCCN1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H18N4OS/c1-8-7-17-4-3-15(8)11(16)10(12)9-5-13-14(2)6-9/h5-6,8,10H,3-4,7,12H2,1-2H3
InChIKeyICWLRRXOIGPFOU-UHFFFAOYSA-N
XLogP0.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(3-methylmorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 113279808
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115290930
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342
2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115289498
2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
3-amino-2-methyl-1-(3-methylthiomorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119785840
4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
CID 115290708
2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 115290799
2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290579
(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 115291008
3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
CID 115290589
(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine
CID 105104673

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone (CID 115290754) is 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone is CC1CSCCN1C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone?
The InChIKey is ICWLRRXOIGPFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-7-17-4-3-15(8)11(16)10(12)9-5-13-14(2)6-9/h5-6,8,10H,3-4,7,12H2,1-2H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone?
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone has a molecular weight of 254.36 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 115290754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).