(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone

C17H18F2N2O3S2 — CID 86936158

IUPAC(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone
SMILESO=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C17H18F2N2O3S2/c18-17(19)26(23,24)14-8-11-25-15(14)16(22)21-9-6-13(7-10-21)20-12-4-2-1-3-5-12/h1-5,8,11,13,17,20H,6-7,9-10H2
InChIKeyYEJAGWWYULLVPA-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.46
Rot. Bonds5

About (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone

(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone (PubChem CID 86936158) has the molecular formula C17H18F2N2O3S2 and a molecular weight of 400.47 g/mol. Its IUPAC name is (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone
PubChem CID86936158
Molecular FormulaC17H18F2N2O3S2
Molecular Weight400.47 g/mol
Exact Mass400.07
IUPAC Name(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone
SMILESO=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C17H18F2N2O3S2/c18-17(19)26(23,24)14-8-11-25-15(14)16(22)21-9-6-13(7-10-21)20-12-4-2-1-3-5-12/h1-5,8,11,13,17,20H,6-7,9-10H2
InChIKeyYEJAGWWYULLVPA-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.46
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-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone;hydrochloride
CID 119593600
1-[3-(difluoromethylsulfonyl)thiophene-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119730
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395679
3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119450494
1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282595
2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 119623007
2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77309770
[4-[4-(2-aminoethyl)anilino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 18173956
N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86897443
2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119561195
1-[4-[4-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305587

Frequently Asked Questions

What is the IUPAC name of (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone?
The IUPAC name of (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone (CID 86936158) is (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone.
What is the SMILES notation for (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone?
The canonical SMILES for (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone is O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone?
The InChIKey is YEJAGWWYULLVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S2/c18-17(19)26(23,24)14-8-11-25-15(14)16(22)21-9-6-13(7-10-21)20-12-4-2-1-3-5-12/h1-5,8,11,13,17,20H,6-7,9-10H2.
What are the key properties of (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone?
(4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone has a molecular weight of 400.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilinopiperidin-1-yl)-[3-(difluoromethylsulfonyl)thiophen-2-yl]methanone is sourced from PubChem (CID 86936158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).