[3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone

C11H13F2NOS2 — CID 71932339

IUPAC[3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1sccc1SC(F)F)N1CCCCC1
InChIInChI=1S/C11H13F2NOS2/c12-11(13)17-8-4-7-16-9(8)10(15)14-5-2-1-3-6-14/h4,7,11H,1-3,5-6H2
InChIKeyQIANCGRPGJFDFG-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.69
Rot. Bonds3

About [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone

[3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone (PubChem CID 71932339) has the molecular formula C11H13F2NOS2 and a molecular weight of 277.36 g/mol. Its IUPAC name is [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone
PubChem CID71932339
Molecular FormulaC11H13F2NOS2
Molecular Weight277.36 g/mol
Exact Mass277.04
IUPAC Name[3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1sccc1SC(F)F)N1CCCCC1
InChIInChI=1S/C11H13F2NOS2/c12-11(13)17-8-4-7-16-9(8)10(15)14-5-2-1-3-6-14/h4,7,11H,1-3,5-6H2
InChIKeyQIANCGRPGJFDFG-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 86898488
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(difluoromethylsulfanyl)thiophen-2-yl]methanone;hydrochloride
CID 120805466
N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86897443
[3-(difluoromethylsulfanyl)thiophen-2-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824195
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
(3-methylsulfanylthiophen-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400398
[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 119488013
[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone
CID 119593061
(2-methylcyclopropyl)methyl 3-(difluoromethylsulfanyl)thiophene-2-carboxylate
CID 86899285
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azepan-1-yl-[2-[4-(difluoromethylsulfanyl)anilino]phenyl]methanone
CID 2313407

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone (CID 71932339) is [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone is O=C(c1sccc1SC(F)F)N1CCCCC1.
What is the InChIKey of [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone?
The InChIKey is QIANCGRPGJFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS2/c12-11(13)17-8-4-7-16-9(8)10(15)14-5-2-1-3-6-14/h4,7,11H,1-3,5-6H2.
What are the key properties of [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone?
[3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone has a molecular weight of 277.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethylsulfanyl)thiophen-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71932339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).