1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea

C8H11N3O3S — CID 70364592

IUPAC1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea
SMILESCc1cccnc1S(=O)(=O)N(C)C(N)=O
InChIInChI=1S/C8H11N3O3S/c1-6-4-3-5-10-7(6)15(13,14)11(2)8(9)12/h3-5H,1-2H3,(H2,9,12)
InChIKeyYHMGETCSHGZLBQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.09
Rot. Bonds2

About 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea

1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea (PubChem CID 70364592) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea
PubChem CID70364592
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea
SMILESCc1cccnc1S(=O)(=O)N(C)C(N)=O
InChIInChI=1S/C8H11N3O3S/c1-6-4-3-5-10-7(6)15(13,14)11(2)8(9)12/h3-5H,1-2H3,(H2,9,12)
InChIKeyYHMGETCSHGZLBQ-UHFFFAOYSA-N
XLogP0.09
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea (CID 70364592) is 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea is Cc1cccnc1S(=O)(=O)N(C)C(N)=O.
What is the InChIKey of 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea?
The InChIKey is YHMGETCSHGZLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-6-4-3-5-10-7(6)15(13,14)11(2)8(9)12/h3-5H,1-2H3,(H2,9,12).
What are the key properties of 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea?
1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea has a molecular weight of 229.26 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3-methyl-2-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 70364592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).