3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide

C9H18N4O3S2 — CID 105359297

IUPAC3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCS(C)=O)c(N)nn1C
InChIInChI=1S/C9H18N4O3S2/c1-7-8(9(10)12-13(7)2)18(15,16)11-5-4-6-17(3)14/h11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyAAPRKPJZEMAYCT-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.64
Rot. Bonds6

About 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide (PubChem CID 105359297) has the molecular formula C9H18N4O3S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
PubChem CID105359297
Molecular FormulaC9H18N4O3S2
Molecular Weight294.40 g/mol
Exact Mass294.08
IUPAC Name3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCS(C)=O)c(N)nn1C
InChIInChI=1S/C9H18N4O3S2/c1-7-8(9(10)12-13(7)2)18(15,16)11-5-4-6-17(3)14/h11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyAAPRKPJZEMAYCT-UHFFFAOYSA-N
XLogP-0.64
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
CID 105359344
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
CID 106233760
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 105359246
3-amino-1,5-dimethyl-N-[(2-methyloxolan-2-yl)methyl]pyrazole-4-sulfonamide
CID 105359105
3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358092
4-N-(3-methylsulfinylpropyl)benzene-1,4-disulfonamide
CID 115632032

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide (CID 105359297) is 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCCCS(C)=O)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide?
The InChIKey is AAPRKPJZEMAYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S2/c1-7-8(9(10)12-13(7)2)18(15,16)11-5-4-6-17(3)14/h11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide has a molecular weight of 294.40 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105359297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).