N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide

C11H22N4O2S — CID 102806224

IUPACN-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)CCCNC(C)C
InChIInChI=1S/C11H22N4O2S/c1-9(2)12-6-5-7-18(16,17)14-11-8-15(4)13-10(11)3/h8-9,12,14H,5-7H2,1-4H3
InChIKeyWNJCOLRSBZGMEQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.86
Rot. Bonds7

About N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide

N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide (PubChem CID 102806224) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
PubChem CID102806224
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)CCCNC(C)C
InChIInChI=1S/C11H22N4O2S/c1-9(2)12-6-5-7-18(16,17)14-11-8-15(4)13-10(11)3/h8-9,12,14H,5-7H2,1-4H3
InChIKeyWNJCOLRSBZGMEQ-UHFFFAOYSA-N
XLogP0.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974110
N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106070211
N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
CID 102805295
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
CID 106724603
N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106086089
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 80689549
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107575659
2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 102803966
1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
CID 102805691
N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
N-(2-bromo-4-methylphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106042677
1-(4-cyanophenyl)-N-(1,3-dimethylpyrazol-4-yl)methanesulfonamide
CID 102805690

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide (CID 102806224) is N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide is Cc1nn(C)cc1NS(=O)(=O)CCCNC(C)C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
The InChIKey is WNJCOLRSBZGMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-9(2)12-6-5-7-18(16,17)14-11-8-15(4)13-10(11)3/h8-9,12,14H,5-7H2,1-4H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 102806224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).