2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide

C9H17N5O3S — CID 60808134

IUPAC2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H17N5O3S/c1-12(2)8(15)6-14(4)18(16,17)7-5-13(3)11-9(7)10/h5H,6H2,1-4H3,(H2,10,11)
InChIKeyREPABSNTOIZZGK-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.29
Rot. Bonds4

About 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide

2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide (PubChem CID 60808134) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
PubChem CID60808134
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H17N5O3S/c1-12(2)8(15)6-14(4)18(16,17)7-5-13(3)11-9(7)10/h5H,6H2,1-4H3,(H2,10,11)
InChIKeyREPABSNTOIZZGK-UHFFFAOYSA-N
XLogP-1.29
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 61116268
2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808306
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 61140349
2-[(2-amino-3-pyridinyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 65427602
ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107552
3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 60810084
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61126808
3-amino-N-[(2-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 61110803
3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 61126800
3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 60807969
2-(3-amino-1-methylpyrazol-4-yl)sulfonylguanidine
CID 116646299

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide (CID 60808134) is 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is REPABSNTOIZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-12(2)8(15)6-14(4)18(16,17)7-5-13(3)11-9(7)10/h5H,6H2,1-4H3,(H2,10,11).
What are the key properties of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide?
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 275.33 g/mol, XLogP of -1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 60808134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).