N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide

C11H20F3N3OS — CID 103912745

IUPACN,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3OS/c1-16(2)10(18)17-6-3-9(4-7-17)15-5-8-19-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQRJLXNNTJDBCHS-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.98
Rot. Bonds4

About N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide

N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide (PubChem CID 103912745) has the molecular formula C11H20F3N3OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide
PubChem CID103912745
Molecular FormulaC11H20F3N3OS
Molecular Weight299.36 g/mol
Exact Mass299.13
IUPAC NameN,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3OS/c1-16(2)10(18)17-6-3-9(4-7-17)15-5-8-19-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyQRJLXNNTJDBCHS-UHFFFAOYSA-N
XLogP1.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859652
1-(2-Methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 71985730
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 84585145
2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 72116653
3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide
CID 118330203
4,4-difluoro-N-isopropylpiperidine-1-carboxamide
CID 121184657
N-butan-2-yl-3,3-difluoropiperidine-1-carboxamide
CID 123172605
3,3-difluoro-N-(1-methylsulfanylpiperidin-4-yl)piperidine-1-carboxamide
CID 135177486
N-[1-(1-sulfanylethyl)piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 135225023
N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide
CID 138607830
3-fluoro-N-[1-(1-sulfanylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 138607865
1-Piperidin-4-yl-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
CID 43604132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide (CID 103912745) is N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(NCCSC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide?
The InChIKey is QRJLXNNTJDBCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3OS/c1-16(2)10(18)17-6-3-9(4-7-17)15-5-8-19-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide?
N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]piperidine-1-carboxamide is sourced from PubChem (CID 103912745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).