(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

C10H16N4O3S2 — CID 66370150

IUPAC(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCn1cc(N)c(C(=O)N2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C10H16N4O3S2/c1-13-5-7(11)9(12-13)10(15)14-3-4-18-6-8(14)19(2,16)17/h5,8H,3-4,6,11H2,1-2H3
InChIKeyXGYTVJRWHDJOGJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP-0.44
Rot. Bonds2

About (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66370150) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66370150
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCn1cc(N)c(C(=O)N2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C10H16N4O3S2/c1-13-5-7(11)9(12-13)10(15)14-3-4-18-6-8(14)19(2,16)17/h5,8H,3-4,6,11H2,1-2H3
InChIKeyXGYTVJRWHDJOGJ-UHFFFAOYSA-N
XLogP-0.44
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
CID 66384069
(4-aminophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383330
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 107499127
(3-bromo-2-pyridinyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 107519120
(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383483
5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid
CID 104607707
(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383223
(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103888895
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone
CID 65355991
(4-amino-1-methylpyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633791
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66382558
(2,3-difluorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66382642

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (CID 66370150) is (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is Cn1cc(N)c(C(=O)N2CCSCC2S(C)(=O)=O)n1.
What is the InChIKey of (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is XGYTVJRWHDJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-13-5-7(11)9(12-13)10(15)14-3-4-18-6-8(14)19(2,16)17/h5,8H,3-4,6,11H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 304.40 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66370150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).