tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate

C15H26FN5O4S — CID 155389034

IUPACtert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate
SMILESCN1C[C@@H](F)C[C@@H](N(c2cnn(C)c2)S(=O)(=O)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26FN5O4S/c1-15(2,3)25-14(22)18-26(23,24)21(13-7-17-20(5)10-13)12-6-11(16)8-19(4)9-12/h7,10-12H,6,8-9H2,1-5H3,(H,18,22)/t11-,12+/m0/s1
InChIKeyDEGASDCIJMFQIN-NWDGAFQWSA-N
MW391.47 g/mol
LogP1.04
Rot. Bonds4

About tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate

tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate (PubChem CID 155389034) has the molecular formula C15H26FN5O4S and a molecular weight of 391.47 g/mol. Its IUPAC name is tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate
PubChem CID155389034
Molecular FormulaC15H26FN5O4S
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Nametert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate
SMILESCN1C[C@@H](F)C[C@@H](N(c2cnn(C)c2)S(=O)(=O)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26FN5O4S/c1-15(2,3)25-14(22)18-26(23,24)21(13-7-17-20(5)10-13)12-6-11(16)8-19(4)9-12/h7,10-12H,6,8-9H2,1-5H3,(H,18,22)/t11-,12+/m0/s1
InChIKeyDEGASDCIJMFQIN-NWDGAFQWSA-N
XLogP1.04
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]carbamate
CID 162749581
tert-butyl N-[(1-methylpyrazol-4-yl)-[[(2S)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]carbamate;2,2,2-trifluoroacetic acid
CID 162123038
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1-methylpyrazol-4-yl)carbamate
CID 11426954
[2-methyl-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]propan-2-yl]carbamoyl 2,2,2-trifluoroacetate
CID 175108911
tert-butyl N-[[(2S)-4-fluoro-1,1-dimethylazetidin-1-ium-2-yl]methyl-(1-methylpyrazol-4-yl)amino]sulfanylcarbamate
CID 155737570
1-(5-methyl-2-propan-2-ylthiophen-3-yl)-3-[(1-methylpyrazol-4-yl)-[(3S)-1-methylpyrrolidin-3-yl]sulfamoyl]urea
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(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
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1-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]-3-(2,2,6-trimethylcyclohexyl)urea
CID 155459302
tert-butyl N-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-3-yl)amino]sulfanylcarbamate
CID 155400863
1-(5-chloro-2-propan-2-ylthiophen-3-yl)-3-[[(3S)-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155388875
CID 155225437
CID 155225437
2-[3,5-di(propan-2-yl)phenyl]-N-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
CID 164929687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate (CID 155389034) is tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate is CN1C[C@@H](F)C[C@@H](N(c2cnn(C)c2)S(=O)(=O)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate?
The InChIKey is DEGASDCIJMFQIN-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H26FN5O4S/c1-15(2,3)25-14(22)18-26(23,24)21(13-7-17-20(5)10-13)12-6-11(16)8-19(4)9-12/h7,10-12H,6,8-9H2,1-5H3,(H,18,22)/t11-,12+/m0/s1.
What are the key properties of tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate?
tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate has a molecular weight of 391.47 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]carbamate is sourced from PubChem (CID 155389034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).