2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide

C9H16N4O3S — CID 60911348

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C9H16N4O3S/c1-6(2)13(5-9(10)14)17(15,16)8-4-11-12-7(8)3/h4,6H,5H2,1-3H3,(H2,10,14)(H,11,12)
InChIKeyNLDMGRALPZPFTP-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.40
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide

2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide (PubChem CID 60911348) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
PubChem CID60911348
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(N)=O)C(C)C
InChIInChI=1S/C9H16N4O3S/c1-6(2)13(5-9(10)14)17(15,16)8-4-11-12-7(8)3/h4,6H,5H2,1-3H3,(H2,10,14)(H,11,12)
InChIKeyNLDMGRALPZPFTP-UHFFFAOYSA-N
XLogP-0.40
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
CID 102691712
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60959944
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959234
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959940
2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
CID 55123980
3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 43402887

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide (CID 60911348) is 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide is Cc1[nH]ncc1S(=O)(=O)N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide?
The InChIKey is NLDMGRALPZPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-6(2)13(5-9(10)14)17(15,16)8-4-11-12-7(8)3/h4,6H,5H2,1-3H3,(H2,10,14)(H,11,12).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide?
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide has a molecular weight of 260.32 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 60911348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).