N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide

C13H24FN3O3S — CID 136536038

IUPACN-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CC(F)C2)CC1
InChIInChI=1S/C13H24FN3O3S/c1-13(2,3)21(19,20)17-6-4-11(5-7-17)15-12(18)16-8-10(14)9-16/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyYAHQDIYWCVULDX-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.94
Rot. Bonds2

About N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide

N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide (PubChem CID 136536038) has the molecular formula C13H24FN3O3S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide
PubChem CID136536038
Molecular FormulaC13H24FN3O3S
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC NameN-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CC(F)C2)CC1
InChIInChI=1S/C13H24FN3O3S/c1-13(2,3)21(19,20)17-6-4-11(5-7-17)15-12(18)16-8-10(14)9-16/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyYAHQDIYWCVULDX-UHFFFAOYSA-N
XLogP0.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-4-(methylsulfamoyl)piperidine-1-carboxamide
CID 127307374
3-fluoro-3-methyl-N-(1-propylsulfonylpiperidin-4-yl)piperidine-1-carboxamide
CID 137835102
4-(tert-butylsulfonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 20630937
4-(tert-butylsulfonylamino)-N-cyclopropylpiperidine-1-carboxamide
CID 20630944
N-isopropyl-3-sulfamoylpiperidine-1-carboxamide
CID 60968918
4-(Tert-butylsulfonylamino)piperidine-1-carboxamide
CID 68043386
1-(2-Aminoethylsulfonyl)-1-(1-propan-2-ylpiperidin-4-yl)-3-propylurea
CID 68821787
N-(1-methylsulfonylpiperidin-4-yl)azetidine-1-carboxamide
CID 69093038
N-isopropyl-4-sulfamoylpiperidine-1-carboxamide
CID 137403001
4-(methanesulfonamido)-N-propylpiperidine-1-carboxamide
CID 47135230
1-(1-Ethylsulfonylpiperidin-4-yl)-3-propylurea
CID 47149943
4-(methanesulfonamido)-N-propan-2-ylpiperidine-1-carboxamide
CID 47160400

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide?
The IUPAC name of N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide (CID 136536038) is N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide?
The canonical SMILES for N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide is CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CC(F)C2)CC1.
What is the InChIKey of N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide?
The InChIKey is YAHQDIYWCVULDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3O3S/c1-13(2,3)21(19,20)17-6-4-11(5-7-17)15-12(18)16-8-10(14)9-16/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide?
N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylsulfonylpiperidin-4-yl)-3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 136536038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).