tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate

C14H24N4O5S — CID 162749581

IUPACtert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate
SMILESCn1cc(N(C[C@H]2CCCO2)S(=O)(=O)NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H24N4O5S/c1-14(2,3)23-13(19)16-24(20,21)18(10-12-6-5-7-22-12)11-8-15-17(4)9-11/h8-9,12H,5-7,10H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyPVOHADOZQFYELS-GFCCVEGCSA-N
MW360.44 g/mol
LogP1.17
Rot. Bonds5

About tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate

tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate (PubChem CID 162749581) has the molecular formula C14H24N4O5S and a molecular weight of 360.44 g/mol. Its IUPAC name is tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate
PubChem CID162749581
Molecular FormulaC14H24N4O5S
Molecular Weight360.44 g/mol
Exact Mass360.15
IUPAC Nametert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate
SMILESCn1cc(N(C[C@H]2CCCO2)S(=O)(=O)NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H24N4O5S/c1-14(2,3)23-13(19)16-24(20,21)18(10-12-6-5-7-22-12)11-8-15-17(4)9-11/h8-9,12H,5-7,10H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyPVOHADOZQFYELS-GFCCVEGCSA-N
XLogP1.17
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2S)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]carbamate;2,2,2-trifluoroacetic acid
CID 162123038
2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide
CID 164929724
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]urea
CID 170689309
N'-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamimidate
CID 170689304
tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate
CID 155389034
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-(oxolan-3-ylmethyl)sulfamoyl]urea
CID 170689278
1-methyl-4-[(oxolan-2-ylmethylamino)-sulfinoamino]pyrazole
CID 155389004
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155225377
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1-methylpyrazol-4-yl)carbamate
CID 11426954
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
CID 114465544

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate (CID 162749581) is tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate is Cn1cc(N(C[C@H]2CCCO2)S(=O)(=O)NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate?
The InChIKey is PVOHADOZQFYELS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O5S/c1-14(2,3)23-13(19)16-24(20,21)18(10-12-6-5-7-22-12)11-8-15-17(4)9-11/h8-9,12H,5-7,10H2,1-4H3,(H,16,19)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate?
tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate has a molecular weight of 360.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate is sourced from PubChem (CID 162749581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).