(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide

C10H17F3N2OS — CID 120622905

IUPAC(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCSC(F)(F)F)CCN1
InChIInChI=1S/C10H17F3N2OS/c1-7-6-8(2-3-14-7)9(16)15-4-5-17-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyJQGKPWUVYPDZQE-YUMQZZPRSA-N
MW270.32 g/mol
LogP1.74
Rot. Bonds4

About (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide (PubChem CID 120622905) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
PubChem CID120622905
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCSC(F)(F)F)CCN1
InChIInChI=1S/C10H17F3N2OS/c1-7-6-8(2-3-14-7)9(16)15-4-5-17-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyJQGKPWUVYPDZQE-YUMQZZPRSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.74
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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Related Compounds

N-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide
CID 24819265
N-cyclopropyl-3-{1-[(methylthio)acetyl]-4-piperidinyl}propanamide
CID 24792133
2-[2-(2-aminoethylsulfanyl)propan-2-yl]-4-fluoro-4-methyl-N-propan-2-ylpentanamide
CID 129179782
1-acetyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 47042761
(2S)-2-amino-4-methylsulfanyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 61179033
N-pentan-3-yl-2-piperidin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62676863
2-piperidin-3-yl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62690733
(2S)-2-amino-4-methylsulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 65538368
2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 71983925
(2R)-2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 95933849
(2S)-2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 95933850
N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 103630028

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide (CID 120622905) is (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCSC(F)(F)F)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide?
The InChIKey is JQGKPWUVYPDZQE-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-7-6-8(2-3-14-7)9(16)15-4-5-17-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120622905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).