N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C11H20F3N3O3S — CID 106339605

IUPACN-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H20F3N3O3S/c1-17(2)21(19,20)6-5-15-10(18)9-4-3-8(7-16-9)11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,18)
InChIKeySYHWXBJVPYJOMK-UHFFFAOYSA-N
MW331.36 g/mol
LogP-0.08
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 106339605) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID106339605
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H20F3N3O3S/c1-17(2)21(19,20)6-5-15-10(18)9-4-3-8(7-16-9)11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,18)
InChIKeySYHWXBJVPYJOMK-UHFFFAOYSA-N
XLogP-0.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 106339605) is N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is CN(C)S(=O)(=O)CCNC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is SYHWXBJVPYJOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c1-17(2)21(19,20)6-5-15-10(18)9-4-3-8(7-16-9)11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 331.36 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 106339605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).