1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine

C13H24N4O3S — CID 102742714

IUPAC1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CC(C)(C)OC(C)(C)C2)c(N)nn1C
InChIInChI=1S/C13H24N4O3S/c1-9-10(11(14)15-16(9)6)21(18,19)17-7-12(2,3)20-13(4,5)8-17/h7-8H2,1-6H3,(H2,14,15)
InChIKeyOHQHEBPMTNHHNM-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.89
Rot. Bonds2

About 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine

1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine (PubChem CID 102742714) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine
PubChem CID102742714
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CC(C)(C)OC(C)(C)C2)c(N)nn1C
InChIInChI=1S/C13H24N4O3S/c1-9-10(11(14)15-16(9)6)21(18,19)17-7-12(2,3)20-13(4,5)8-17/h7-8H2,1-6H3,(H2,14,15)
InChIKeyOHQHEBPMTNHHNM-UHFFFAOYSA-N
XLogP0.89
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
1,5-Dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105359039
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105905396
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 107478051
5-amino-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460007
5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 82460008
5-amino-N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460020
5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460030

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine (CID 102742714) is 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CC(C)(C)OC(C)(C)C2)c(N)nn1C.
What is the InChIKey of 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine?
The InChIKey is OHQHEBPMTNHHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-9-10(11(14)15-16(9)6)21(18,19)17-7-12(2,3)20-13(4,5)8-17/h7-8H2,1-6H3,(H2,14,15).
What are the key properties of 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine?
1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine has a molecular weight of 316.43 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 102742714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).