N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide

C8H15N3O2S — CID 47373259

IUPACN-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C8H15N3O2S/c1-7(2)14(12,13)10-5-8-4-9-11(3)6-8/h4,6-7,10H,5H2,1-3H3
InChIKeyVYIIPCMYHWEURA-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.25
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide

N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide (PubChem CID 47373259) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
PubChem CID47373259
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C8H15N3O2S/c1-7(2)14(12,13)10-5-8-4-9-11(3)6-8/h4,6-7,10H,5H2,1-3H3
InChIKeyVYIIPCMYHWEURA-UHFFFAOYSA-N
XLogP0.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61457890
N-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106018241
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
CID 122274631
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
N-[(1-methylpyrazol-4-yl)methyl]-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106018225
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
4-(2-chloroethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61348717
6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62158685

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide (CID 47373259) is N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1cnn(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide?
The InChIKey is VYIIPCMYHWEURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7(2)14(12,13)10-5-8-4-9-11(3)6-8/h4,6-7,10H,5H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide?
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 47373259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).