3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine

C12H17N5O2S — CID 122274253

IUPAC3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine
SMILESCN(C)S(=O)(=O)NCc1cncc(-c2ccnn2C)c1
InChIInChI=1S/C12H17N5O2S/c1-16(2)20(18,19)15-8-10-6-11(9-13-7-10)12-4-5-14-17(12)3/h4-7,9,15H,8H2,1-3H3
InChIKeyHUMZIJDWZGQINV-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.38
Rot. Bonds5

About 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine

3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine (PubChem CID 122274253) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine
PubChem CID122274253
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine
SMILESCN(C)S(=O)(=O)NCc1cncc(-c2ccnn2C)c1
InChIInChI=1S/C12H17N5O2S/c1-16(2)20(18,19)15-8-10-6-11(9-13-7-10)12-4-5-14-17(12)3/h4-7,9,15H,8H2,1-3H3
InChIKeyHUMZIJDWZGQINV-UHFFFAOYSA-N
XLogP0.38
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine (CID 122274253) is 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine is CN(C)S(=O)(=O)NCc1cncc(-c2ccnn2C)c1.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine?
The InChIKey is HUMZIJDWZGQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-16(2)20(18,19)15-8-10-6-11(9-13-7-10)12-4-5-14-17(12)3/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine?
3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine has a molecular weight of 295.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine is sourced from PubChem (CID 122274253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).