1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea

C10H15N3O3S — CID 91248865

IUPAC1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
SMILESCc1ccncc1S(=O)(=O)NC(=O)NC(C)C
InChIInChI=1S/C10H15N3O3S/c1-7(2)12-10(14)13-17(15,16)9-6-11-5-4-8(9)3/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyBIOFCMNBNPLEQS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.79
Rot. Bonds3

About 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea

1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea (PubChem CID 91248865) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
PubChem CID91248865
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
SMILESCc1ccncc1S(=O)(=O)NC(=O)NC(C)C
InChIInChI=1S/C10H15N3O3S/c1-7(2)12-10(14)13-17(15,16)9-6-11-5-4-8(9)3/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyBIOFCMNBNPLEQS-UHFFFAOYSA-N
XLogP0.79
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 142675963
lithium;hydride;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;hydrate
CID 173249221
1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea
CID 166350356
1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
CID 172970649
1-(5-amino-2,3-dimethylphenyl)sulfonyl-3-propan-2-ylurea
CID 116646369
[[4-(3-methylanilino)-3-pyridinyl]-oxo-(propan-2-ylcarbamoylamino)-λ6-sulfanylidene]oxidanium
CID 163731126
1-(5-amino-4-fluoro-2-methylphenyl)sulfonyl-3-propan-2-ylurea
CID 116646344
ethane;4-methyl-3-methylsulfonylpyridine
CID 142044730
1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
CID 12655483
1-(3-amino-2,5,6-trimethylphenyl)sulfonyl-3-propan-2-ylurea
CID 106505453
methyl 5-amino-2-(propan-2-ylcarbamoylsulfamoyl)benzoate
CID 116646350
1-[(4-chloro-3-pyridinyl)sulfamoyl]-N-propan-2-ylformamide
CID 88643816

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea (CID 91248865) is 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea is Cc1ccncc1S(=O)(=O)NC(=O)NC(C)C.
What is the InChIKey of 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea?
The InChIKey is BIOFCMNBNPLEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7(2)12-10(14)13-17(15,16)9-6-11-5-4-8(9)3/h4-7H,1-3H3,(H2,12,13,14).
What are the key properties of 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea?
1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea has a molecular weight of 257.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea is sourced from PubChem (CID 91248865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).