N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide

C11H22N4O2S — CID 62061542

IUPACN-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C(C)(C)CN)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H22N4O2S/c1-5-6-15(11(2,3)9-12)18(16,17)10-7-13-14(4)8-10/h7-8H,5-6,9,12H2,1-4H3
InChIKeyXUXMMSDCIHBQIL-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.56
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide (PubChem CID 62061542) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide
PubChem CID62061542
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C(C)(C)CN)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H22N4O2S/c1-5-6-15(11(2,3)9-12)18(16,17)10-7-13-14(4)8-10/h7-8H,5-6,9,12H2,1-4H3
InChIKeyXUXMMSDCIHBQIL-UHFFFAOYSA-N
XLogP0.56
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-methyl-N-propylpyrazole-4-sulfonamide
CID 62064009
N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 80676344
1-methyl-N-propyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 62062782
N-(2-cyanoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 55210793
N-(2-chloroethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 107493068
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
CID 62062243
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090602
N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide
CID 62010247
N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 63397040
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide
CID 62062104
4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361582

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide (CID 62061542) is N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide is CCCN(C(C)(C)CN)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide?
The InChIKey is XUXMMSDCIHBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-6-15(11(2,3)9-12)18(16,17)10-7-13-14(4)8-10/h7-8H,5-6,9,12H2,1-4H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-methyl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 62061542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).