N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C11H20F3N3O3S — CID 71893001

IUPACN-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O3S/c1-21(19,20)16-6-3-5-15-10(18)17-7-2-4-9(8-17)11(12,13)14/h9,16H,2-8H2,1H3,(H,15,18)
InChIKeyWRZDOLOQZCWJEX-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.91
Rot. Bonds5

About N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 71893001) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID71893001
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC NameN-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O3S/c1-21(19,20)16-6-3-5-15-10(18)17-7-2-4-9(8-17)11(12,13)14/h9,16H,2-8H2,1H3,(H,15,18)
InChIKeyWRZDOLOQZCWJEX-UHFFFAOYSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 71893001) is N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide is CS(=O)(=O)NCCCNC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is WRZDOLOQZCWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c1-21(19,20)16-6-3-5-15-10(18)17-7-2-4-9(8-17)11(12,13)14/h9,16H,2-8H2,1H3,(H,15,18).
What are the key properties of N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 331.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71893001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).