tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate

C14H24N4O5S — CID 155225067

IUPACtert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate
SMILESCc1[nH]ncc1N(C1CCOCC1)S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O5S/c1-10-12(9-15-16-10)18(11-5-7-22-8-6-11)24(20,21)17-13(19)23-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyPDJAFUPLLGSBJL-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.47
Rot. Bonds4

About tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate

tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate (PubChem CID 155225067) has the molecular formula C14H24N4O5S and a molecular weight of 360.44 g/mol. Its IUPAC name is tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate
PubChem CID155225067
Molecular FormulaC14H24N4O5S
Molecular Weight360.44 g/mol
Exact Mass360.15
IUPAC Nametert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate
SMILESCc1[nH]ncc1N(C1CCOCC1)S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O5S/c1-10-12(9-15-16-10)18(11-5-7-22-8-6-11)24(20,21)17-13(19)23-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyPDJAFUPLLGSBJL-UHFFFAOYSA-N
XLogP1.47
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate (CID 155225067) is tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate is Cc1[nH]ncc1N(C1CCOCC1)S(=O)(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate?
The InChIKey is PDJAFUPLLGSBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5S/c1-10-12(9-15-16-10)18(11-5-7-22-8-6-11)24(20,21)17-13(19)23-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16)(H,17,19).
What are the key properties of tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate?
tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate has a molecular weight of 360.44 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methyl-1H-pyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamate is sourced from PubChem (CID 155225067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).