2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide

C10H19N5O3S — CID 115355880

IUPAC2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide
SMILESCn1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)c(N)n1
InChIInChI=1S/C10H19N5O3S/c1-10(2,3)13-8(16)5-12-19(17,18)7-6-15(4)14-9(7)11/h6,12H,5H2,1-4H3,(H2,11,14)(H,13,16)
InChIKeyAILASSQPLAIPOI-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.80
Rot. Bonds4

About 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide

2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide (PubChem CID 115355880) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide
PubChem CID115355880
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide
SMILESCn1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)c(N)n1
InChIInChI=1S/C10H19N5O3S/c1-10(2,3)13-8(16)5-12-19(17,18)7-6-15(4)14-9(7)11/h6,12H,5H2,1-4H3,(H2,11,14)(H,13,16)
InChIKeyAILASSQPLAIPOI-UHFFFAOYSA-N
XLogP-0.80
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063
3-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylpyrazole-4-sulfonamide
CID 107150658
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60813866
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115454064
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
2-[(6-amino-3-pyridinyl)sulfonylamino]-N-tert-butylacetamide
CID 115355870
3-amino-N-(2-methoxypropyl)-1-methylpyrazole-4-sulfonamide
CID 102694355
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355937
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 62524294
2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-tert-butylacetamide
CID 115357173

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide (CID 115355880) is 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide is Cn1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)c(N)n1.
What is the InChIKey of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide?
The InChIKey is AILASSQPLAIPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-10(2,3)13-8(16)5-12-19(17,18)7-6-15(4)14-9(7)11/h6,12H,5H2,1-4H3,(H2,11,14)(H,13,16).
What are the key properties of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide?
2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide has a molecular weight of 289.36 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide is sourced from PubChem (CID 115355880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).