N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

C14H23F3N2O2S — CID 97334268

IUPACN-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCS[C@@H]1CC[C@@H](NC(=O)N2CCC(O)(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O2S/c1-2-22-11-4-3-10(9-11)18-12(20)19-7-5-13(21,6-8-19)14(15,16)17/h10-11,21H,2-9H2,1H3,(H,18,20)/t10-,11-/m1/s1
InChIKeyBEOPFGNCGKVECM-GHMZBOCLSA-N
MW340.41 g/mol
LogP2.76
Rot. Bonds3

About N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 97334268) has the molecular formula C14H23F3N2O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID97334268
Molecular FormulaC14H23F3N2O2S
Molecular Weight340.41 g/mol
Exact Mass340.14
IUPAC NameN-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCS[C@@H]1CC[C@@H](NC(=O)N2CCC(O)(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H23F3N2O2S/c1-2-22-11-4-3-10(9-11)18-12(20)19-7-5-13(21,6-8-19)14(15,16)17/h10-11,21H,2-9H2,1H3,(H,18,20)/t10-,11-/m1/s1
InChIKeyBEOPFGNCGKVECM-GHMZBOCLSA-N
XLogP2.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (CID 97334268) is N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is CCS[C@@H]1CC[C@@H](NC(=O)N2CCC(O)(C(F)(F)F)CC2)C1.
What is the InChIKey of N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is BEOPFGNCGKVECM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23F3N2O2S/c1-2-22-11-4-3-10(9-11)18-12(20)19-7-5-13(21,6-8-19)14(15,16)17/h10-11,21H,2-9H2,1H3,(H,18,20)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97334268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).