(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide

C10H17F3N2O2S — CID 99773486

IUPAC(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCSC(F)(F)F)N1CCC[C@@H](CO)C1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18-5-3-14-9(17)15-4-1-2-8(6-15)7-16/h8,16H,1-7H2,(H,14,17)/t8-/m1/s1
InChIKeyXSGWILUHTMDUHU-MRVPVSSYSA-N
MW286.32 g/mol
LogP1.65
Rot. Bonds4

About (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (PubChem CID 99773486) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
PubChem CID99773486
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCSC(F)(F)F)N1CCC[C@@H](CO)C1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18-5-3-14-9(17)15-4-1-2-8(6-15)7-16/h8,16H,1-7H2,(H,14,17)/t8-/m1/s1
InChIKeyXSGWILUHTMDUHU-MRVPVSSYSA-N
XLogP1.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.65
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

2-[1-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 106431600
N-[2-(trifluoromethylsulfanyl)ethyl]azepane-1-carboxamide
CID 113225960
(3R)-1-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 99773480
N-(2-tert-butylsulfinylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111432818
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894864
1-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106431697
2,2,3,3,3-pentafluoro-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 114037853
(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543595
2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882655
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide (CID 99773486) is (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is O=C(NCCSC(F)(F)F)N1CCC[C@@H](CO)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
The InChIKey is XSGWILUHTMDUHU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)18-5-3-14-9(17)15-4-1-2-8(6-15)7-16/h8,16H,1-7H2,(H,14,17)/t8-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 99773486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).