4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide

C16H24FN3O3S — CID 20629541

IUPAC4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O3S/c1-16(2,3)24(22,23)19-12-8-10-20(11-9-12)15(21)18-14-7-5-4-6-13(14)17/h4-7,12,19H,8-11H2,1-3H3,(H,18,21)
InChIKeyHRNGYNRDLBADKB-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.54
Rot. Bonds3

About 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 20629541) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID20629541
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O3S/c1-16(2,3)24(22,23)19-12-8-10-20(11-9-12)15(21)18-14-7-5-4-6-13(14)17/h4-7,12,19H,8-11H2,1-3H3,(H,18,21)
InChIKeyHRNGYNRDLBADKB-UHFFFAOYSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 51108800
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
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N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
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N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
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N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 3218437
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 20629800
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 62885016
4-amino-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79868065

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 20629541) is 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is HRNGYNRDLBADKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-16(2,3)24(22,23)19-12-8-10-20(11-9-12)15(21)18-14-7-5-4-6-13(14)17/h4-7,12,19H,8-11H2,1-3H3,(H,18,21).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 20629541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).