4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide

C13H24N4O3S — CID 106016475

IUPAC4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NCC2CCCOC2)n[nH]c1C
InChIInChI=1S/C13H24N4O3S/c1-3-14-8-12-10(2)16-17-13(12)21(18,19)15-7-11-5-4-6-20-9-11/h11,14-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyLURWNHZYBBUFRD-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.53
Rot. Bonds7

About 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide

4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106016475) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106016475
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NCC2CCCOC2)n[nH]c1C
InChIInChI=1S/C13H24N4O3S/c1-3-14-8-12-10(2)16-17-13(12)21(18,19)15-7-11-5-4-6-20-9-11/h11,14-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyLURWNHZYBBUFRD-UHFFFAOYSA-N
XLogP0.53
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106062981
4-(aminomethyl)-N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106378084
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
5-methyl-4-(methylaminomethyl)-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078547
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
5-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106052878
4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106073747
4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192827
N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692335

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide (CID 106016475) is 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide is CCNCc1c(S(=O)(=O)NCC2CCCOC2)n[nH]c1C.
What is the InChIKey of 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is LURWNHZYBBUFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-14-8-12-10(2)16-17-13(12)21(18,19)15-7-11-5-4-6-20-9-11/h11,14-15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide?
4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106016475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).