(2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide

C10H17F3N2OS — CID 99813036

IUPAC(2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESC[C@H]1CCCCN1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c1-8-4-2-3-6-15(8)9(16)14-5-7-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyQYLPJWUWDZCSAF-QMMMGPOBSA-N
MW270.32 g/mol
LogP2.82
Rot. Bonds3

About (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide

(2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (PubChem CID 99813036) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
PubChem CID99813036
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name(2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESC[C@H]1CCCCN1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H17F3N2OS/c1-8-4-2-3-6-15(8)9(16)14-5-7-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyQYLPJWUWDZCSAF-QMMMGPOBSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (CID 99813036) is (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is C[C@H]1CCCCN1C(=O)NCCSC(F)(F)F.
What is the InChIKey of (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The InChIKey is QYLPJWUWDZCSAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-8-4-2-3-6-15(8)9(16)14-5-7-17-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
(2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 99813036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).