5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide

C11H20N4O3S — CID 106065204

IUPAC5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C11H20N4O3S/c1-8-11(10(6-12-2)14-13-8)19(16,17)15-9-4-3-5-18-7-9/h9,12,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyDIAHQKRTJASKQE-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.11
Rot. Bonds5

About 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide

5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 106065204) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID106065204
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C11H20N4O3S/c1-8-11(10(6-12-2)14-13-8)19(16,17)15-9-4-3-5-18-7-9/h9,12,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyDIAHQKRTJASKQE-UHFFFAOYSA-N
XLogP-0.11
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106072521
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562
N-(2,2-dimethylcyclohexyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106071371
N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 82745524
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
2,3-dimethyl-5-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065308
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106090808
3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide
CID 114135603
5-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093156
3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide (CID 106065204) is 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)NC1CCCOC1.
What is the InChIKey of 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DIAHQKRTJASKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-11(10(6-12-2)14-13-8)19(16,17)15-9-4-3-5-18-7-9/h9,12,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106065204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).