[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone

C12H16F2N2O3S2 — CID 119488818

IUPAC[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1
InChIInChI=1S/C12H16F2N2O3S2/c1-15-8-3-2-5-16(7-8)11(17)10-9(4-6-20-10)21(18,19)12(13)14/h4,6,8,12,15H,2-3,5,7H2,1H3
InChIKeyUSJNGOIQVRIFOZ-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.57
Rot. Bonds4

About [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone

[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119488818) has the molecular formula C12H16F2N2O3S2 and a molecular weight of 338.40 g/mol. Its IUPAC name is [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119488818
Molecular FormulaC12H16F2N2O3S2
Molecular Weight338.40 g/mol
Exact Mass338.06
IUPAC Name[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1
InChIInChI=1S/C12H16F2N2O3S2/c1-15-8-3-2-5-16(7-8)11(17)10-9(4-6-20-10)21(18,19)12(13)14/h4,6,8,12,15H,2-3,5,7H2,1H3
InChIKeyUSJNGOIQVRIFOZ-UHFFFAOYSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395679
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone;hydrochloride
CID 119593600
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 119488013
(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone
CID 86936158
1-[3-(difluoromethylsulfonyl)thiophene-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119730
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62536372
3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119450494
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119492236

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119488818) is [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1.
What is the InChIKey of [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is USJNGOIQVRIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S2/c1-15-8-3-2-5-16(7-8)11(17)10-9(4-6-20-10)21(18,19)12(13)14/h4,6,8,12,15H,2-3,5,7H2,1H3.
What are the key properties of [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 338.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119488818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).