3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide

C11H15N5O2S — CID 103305507

IUPAC3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H15N5O2S/c1-15-7-9(6-14-15)8-16(2)19(17,18)11-10(12)4-3-5-13-11/h3-7H,8,12H2,1-2H3
InChIKeyUPYOCPBTCGECTG-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.22
Rot. Bonds4

About 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide

3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide (PubChem CID 103305507) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
PubChem CID103305507
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ncccc1N
InChIInChI=1S/C11H15N5O2S/c1-15-7-9(6-14-15)8-16(2)19(17,18)11-10(12)4-3-5-13-11/h3-7H,8,12H2,1-2H3
InChIKeyUPYOCPBTCGECTG-UHFFFAOYSA-N
XLogP0.22
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide (CID 103305507) is 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide is CN(Cc1cnn(C)c1)S(=O)(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is UPYOCPBTCGECTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-15-7-9(6-14-15)8-16(2)19(17,18)11-10(12)4-3-5-13-11/h3-7H,8,12H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103305507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).