2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide

C9H16N4O3S — CID 47268192

IUPAC2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O3S/c1-3-4-10-9(14)7-13(2)17(15,16)8-5-11-12-6-8/h5-6H,3-4,7H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyRKSFJKWHOSGFCV-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.44
Rot. Bonds6

About 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide

2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide (PubChem CID 47268192) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide
PubChem CID47268192
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O3S/c1-3-4-10-9(14)7-13(2)17(15,16)8-5-11-12-6-8/h5-6H,3-4,7H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyRKSFJKWHOSGFCV-UHFFFAOYSA-N
XLogP-0.44
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide (CID 47268192) is 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide?
The InChIKey is RKSFJKWHOSGFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-3-4-10-9(14)7-13(2)17(15,16)8-5-11-12-6-8/h5-6H,3-4,7H2,1-2H3,(H,10,14)(H,11,12).
What are the key properties of 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide?
2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide has a molecular weight of 260.32 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propylacetamide is sourced from PubChem (CID 47268192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).