[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid

C10H16N4O5S — CID 155225412

IUPAC[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid
SMILESCc1[nH]ncc1N(C1CCOCC1)S(=O)(=O)NC(=O)O
InChIInChI=1S/C10H16N4O5S/c1-7-9(6-11-12-7)14(8-2-4-19-5-3-8)20(17,18)13-10(15)16/h6,8,13H,2-5H2,1H3,(H,11,12)(H,15,16)
InChIKeyWQSIZKRHNPUIID-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.22
Rot. Bonds4

About [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid

[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid (PubChem CID 155225412) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid.

Molecular Properties

Compound Name[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid
PubChem CID155225412
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid
SMILESCc1[nH]ncc1N(C1CCOCC1)S(=O)(=O)NC(=O)O
InChIInChI=1S/C10H16N4O5S/c1-7-9(6-11-12-7)14(8-2-4-19-5-3-8)20(17,18)13-10(15)16/h6,8,13H,2-5H2,1H3,(H,11,12)(H,15,16)
InChIKeyWQSIZKRHNPUIID-UHFFFAOYSA-N
XLogP0.22
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid?
The IUPAC name of [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid (CID 155225412) is [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid.
What is the SMILES notation for [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid?
The canonical SMILES for [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid is Cc1[nH]ncc1N(C1CCOCC1)S(=O)(=O)NC(=O)O.
What is the InChIKey of [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid?
The InChIKey is WQSIZKRHNPUIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-7-9(6-11-12-7)14(8-2-4-19-5-3-8)20(17,18)13-10(15)16/h6,8,13H,2-5H2,1H3,(H,11,12)(H,15,16).
What are the key properties of [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid?
[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid has a molecular weight of 304.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamic acid is sourced from PubChem (CID 155225412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).