[4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine

C12H17F3N2O2S2 — CID 102754190

IUPAC[4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine
SMILESCc1csc(CN)c1S(=O)(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O2S2/c1-8-7-20-10(6-16)11(8)21(18,19)17-4-2-9(3-5-17)12(13,14)15/h7,9H,2-6,16H2,1H3
InChIKeyYRXGAVNMASIGCM-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.48
Rot. Bonds3

About [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine

[4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine (PubChem CID 102754190) has the molecular formula C12H17F3N2O2S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine
PubChem CID102754190
Molecular FormulaC12H17F3N2O2S2
Molecular Weight342.41 g/mol
Exact Mass342.07
IUPAC Name[4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine
SMILESCc1csc(CN)c1S(=O)(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O2S2/c1-8-7-20-10(6-16)11(8)21(18,19)17-4-2-9(3-5-17)12(13,14)15/h7,9H,2-6,16H2,1H3
InChIKeyYRXGAVNMASIGCM-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine (CID 102754190) is [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine is Cc1csc(CN)c1S(=O)(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine?
The InChIKey is YRXGAVNMASIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S2/c1-8-7-20-10(6-16)11(8)21(18,19)17-4-2-9(3-5-17)12(13,14)15/h7,9H,2-6,16H2,1H3.
What are the key properties of [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine?
[4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine has a molecular weight of 342.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 102754190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).