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

Torasemide
CID 41781
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
4-(Allylamino)-3-pyridinesulfonamide
CID 25044690
2-[benzenesulfonyl(ethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 2991744
N-(4-{[(3-pyridinylmethyl)amino]sulfonyl}phenyl)acetamide
CID 538491
N-[4-[(4-methylpyridin-2-yl)sulfamoyl]phenyl]acetamide
CID 772016
N-Pyridin-4-ylmethyl-benzenesulfonamide
CID 818674
1-[(4-Piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 66609911
1-[4-(Butylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610702

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).