2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide

C11H20N4O2S2 — CID 62061761

IUPAC2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)CC(C)C(N)=S
InChIInChI=1S/C11H20N4O2S2/c1-7(11(12)18)6-14(4)19(16,17)10-8(2)13-15(5)9(10)3/h7H,6H2,1-5H3,(H2,12,18)
InChIKeyQZLIFJABSKCZEB-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.58
Rot. Bonds5

About 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide

2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide (PubChem CID 62061761) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide
PubChem CID62061761
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)CC(C)C(N)=S
InChIInChI=1S/C11H20N4O2S2/c1-7(11(12)18)6-14(4)19(16,17)10-8(2)13-15(5)9(10)3/h7H,6H2,1-5H3,(H2,12,18)
InChIKeyQZLIFJABSKCZEB-UHFFFAOYSA-N
XLogP0.58
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide?
The IUPAC name of 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide (CID 62061761) is 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide.
What is the SMILES notation for 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide?
The canonical SMILES for 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide is Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC(C)C(N)=S.
What is the InChIKey of 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide?
The InChIKey is QZLIFJABSKCZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-7(11(12)18)6-14(4)19(16,17)10-8(2)13-15(5)9(10)3/h7H,6H2,1-5H3,(H2,12,18).
What are the key properties of 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide?
2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide has a molecular weight of 304.44 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanethioamide is sourced from PubChem (CID 62061761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).