(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide

C11H17F3N2O3S — CID 94017306

IUPAC(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)8-2-1-4-16(6-8)10(17)15-9-3-5-20(18,19)7-9/h8-9H,1-7H2,(H,15,17)/t8-,9-/m1/s1
InChIKeyYCPXHXLBOPGJNJ-RKDXNWHRSA-N
MW314.33 g/mol
LogP1.16
Rot. Bonds1

About (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide

(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 94017306) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID94017306
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC Name(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)8-2-1-4-16(6-8)10(17)15-9-3-5-20(18,19)7-9/h8-9H,1-7H2,(H,15,17)/t8-,9-/m1/s1
InChIKeyYCPXHXLBOPGJNJ-RKDXNWHRSA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)piperidine-1-carboxamide
CID 661573
N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-1-carboxamide
CID 2906114
1,1-dioxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1,4-thiazinane-4-carboxamide
CID 75448769
N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 7190340
1-(1,1-Dioxothiolan-3-yl)-3-(2-piperidin-1-ylethyl)urea
CID 47237226
N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 71867717
1-[(1,1-Dioxothiolan-3-yl)methyl]-3-(2-piperidin-1-ylethyl)urea
CID 71893516
1-[[(2R)-1,1-dioxothian-2-yl]methyl]-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 164639808
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45800248
1-(1,1-Dioxothiolan-3-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 45829701
4-(2,2-difluoroethyl)-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 48916272
1,1-dioxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
CID 64912128

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 94017306) is (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is YCPXHXLBOPGJNJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c12-11(13,14)8-2-1-4-16(6-8)10(17)15-9-3-5-20(18,19)7-9/h8-9H,1-7H2,(H,15,17)/t8-,9-/m1/s1.
What are the key properties of (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 94017306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).