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

C13H18F2N2O3S2 — CID 119395679

IUPAC[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1
InChIInChI=1S/C13H18F2N2O3S2/c1-16-7-9-3-2-5-17(8-9)12(18)11-10(4-6-21-11)22(19,20)13(14)15/h4,6,9,13,16H,2-3,5,7-8H2,1H3
InChIKeyKSJRMKCWHROZTC-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.82
Rot. Bonds5

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

[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119395679) has the molecular formula C13H18F2N2O3S2 and a molecular weight of 352.43 g/mol. Its IUPAC name is [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119395679
Molecular FormulaC13H18F2N2O3S2
Molecular Weight352.43 g/mol
Exact Mass352.07
IUPAC Name[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1
InChIInChI=1S/C13H18F2N2O3S2/c1-16-7-9-3-2-5-17(8-9)12(18)11-10(4-6-21-11)22(19,20)13(14)15/h4,6,9,13,16H,2-3,5,7-8H2,1H3
InChIKeyKSJRMKCWHROZTC-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488818
[3-(difluoromethoxy)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398975
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone;hydrochloride
CID 119593600
(3-ethylthiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263358
N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 95615382
(3-methoxythiophen-2-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596275
1-[3-(difluoromethylsulfonyl)thiophene-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119730
[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80746000
(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone
CID 86936158
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119395679) is [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1.
What is the InChIKey of [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is KSJRMKCWHROZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S2/c1-16-7-9-3-2-5-17(8-9)12(18)11-10(4-6-21-11)22(19,20)13(14)15/h4,6,9,13,16H,2-3,5,7-8H2,1H3.
What are the key properties of [3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 1.82, 5 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-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119395679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).