1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea

C10H16N4O3S — CID 18716841

IUPAC1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea
SMILESCCNC(=O)NNc1cc(S(C)(=O)=O)cc(C)n1
InChIInChI=1S/C10H16N4O3S/c1-4-11-10(15)14-13-9-6-8(18(3,16)17)5-7(2)12-9/h5-6H,4H2,1-3H3,(H,12,13)(H2,11,14,15)
InChIKeyPLCCFWYPDVEGRK-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.44
Rot. Bonds4

About 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea

1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea (PubChem CID 18716841) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea.

Molecular Properties

Compound Name1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea
PubChem CID18716841
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea
SMILESCCNC(=O)NNc1cc(S(C)(=O)=O)cc(C)n1
InChIInChI=1S/C10H16N4O3S/c1-4-11-10(15)14-13-9-6-8(18(3,16)17)5-7(2)12-9/h5-6H,4H2,1-3H3,(H,12,13)(H2,11,14,15)
InChIKeyPLCCFWYPDVEGRK-UHFFFAOYSA-N
XLogP0.44
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea?
The IUPAC name of 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea (CID 18716841) is 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea.
What is the SMILES notation for 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea?
The canonical SMILES for 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea is CCNC(=O)NNc1cc(S(C)(=O)=O)cc(C)n1.
What is the InChIKey of 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea?
The InChIKey is PLCCFWYPDVEGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-4-11-10(15)14-13-9-6-8(18(3,16)17)5-7(2)12-9/h5-6H,4H2,1-3H3,(H,12,13)(H2,11,14,15).
What are the key properties of 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea?
1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea has a molecular weight of 272.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(6-methyl-4-methylsulfonyl-2-pyridinyl)amino]urea is sourced from PubChem (CID 18716841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).