N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide

C8H14N4O3S — CID 47267297

IUPACN-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-2-3-9-8(13)6-12-16(14,15)7-4-10-11-5-7/h4-5,12H,2-3,6H2,1H3,(H,9,13)(H,10,11)
InChIKeyCOKAPXNEUBDCRQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.79
Rot. Bonds6

About N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide

N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide (PubChem CID 47267297) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
PubChem CID47267297
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-2-3-9-8(13)6-12-16(14,15)7-4-10-11-5-7/h4-5,12H,2-3,6H2,1H3,(H,9,13)(H,10,11)
InChIKeyCOKAPXNEUBDCRQ-UHFFFAOYSA-N
XLogP-0.79
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide?
The IUPAC name of N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide (CID 47267297) is N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide.
What is the SMILES notation for N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide?
The canonical SMILES for N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide is CCCNC(=O)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide?
The InChIKey is COKAPXNEUBDCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-2-3-9-8(13)6-12-16(14,15)7-4-10-11-5-7/h4-5,12H,2-3,6H2,1H3,(H,9,13)(H,10,11).
What are the key properties of N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide?
N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide has a molecular weight of 246.29 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide is sourced from PubChem (CID 47267297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).