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

C9H14N4O3S — CID 47267399

IUPACN-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H14N4O3S/c1-13(6-9(14)12-7-2-3-7)17(15,16)8-4-10-11-5-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)(H,12,14)
InChIKeyJXJGBPLEDKAKQL-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.69
Rot. Bonds5

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

N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide (PubChem CID 47267399) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
PubChem CID47267399
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC NameN-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H14N4O3S/c1-13(6-9(14)12-7-2-3-7)17(15,16)8-4-10-11-5-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)(H,12,14)
InChIKeyJXJGBPLEDKAKQL-UHFFFAOYSA-N
XLogP-0.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide (CID 47267399) is N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The InChIKey is JXJGBPLEDKAKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-13(6-9(14)12-7-2-3-7)17(15,16)8-4-10-11-5-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)(H,12,14).
What are the key properties of N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide has a molecular weight of 258.30 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 47267399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).