2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide

C9H17N5O4S — CID 106233760

IUPAC2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
SMILESCc1c(S(=O)(=O)NCCOCC(N)=O)c(N)nn1C
InChIInChI=1S/C9H17N5O4S/c1-6-8(9(11)13-14(6)2)19(16,17)12-3-4-18-5-7(10)15/h12H,3-5H2,1-2H3,(H2,10,15)(H2,11,13)
InChIKeyWBNNBLQXZYSWAK-UHFFFAOYSA-N
MW291.33 g/mol
LogP-1.91
Rot. Bonds7

About 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide

2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide (PubChem CID 106233760) has the molecular formula C9H17N5O4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
PubChem CID106233760
Molecular FormulaC9H17N5O4S
Molecular Weight291.33 g/mol
Exact Mass291.10
IUPAC Name2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
SMILESCc1c(S(=O)(=O)NCCOCC(N)=O)c(N)nn1C
InChIInChI=1S/C9H17N5O4S/c1-6-8(9(11)13-14(6)2)19(16,17)12-3-4-18-5-7(10)15/h12H,3-5H2,1-2H3,(H2,10,15)(H2,11,13)
InChIKeyWBNNBLQXZYSWAK-UHFFFAOYSA-N
XLogP-1.91
TPSA142.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 105359246
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297
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
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
CID 106241017
2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233837
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide (CID 106233760) is 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide is Cc1c(S(=O)(=O)NCCOCC(N)=O)c(N)nn1C.
What is the InChIKey of 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide?
The InChIKey is WBNNBLQXZYSWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O4S/c1-6-8(9(11)13-14(6)2)19(16,17)12-3-4-18-5-7(10)15/h12H,3-5H2,1-2H3,(H2,10,15)(H2,11,13).
What are the key properties of 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide?
2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide has a molecular weight of 291.33 g/mol, XLogP of -1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106233760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).