N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C16H15F3N2O2S — CID 120605601

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESNCc1cc(NC(=O)c2cc3c(s2)CCOC3)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)11-3-9(7-20)4-12(6-11)21-15(22)14-5-10-8-23-2-1-13(10)24-14/h3-6H,1-2,7-8,20H2,(H,21,22)
InChIKeyDSFJLUQABVBPCI-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.55
Rot. Bonds3

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 120605601) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID120605601
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESNCc1cc(NC(=O)c2cc3c(s2)CCOC3)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)11-3-9(7-20)4-12(6-11)21-15(22)14-5-10-8-23-2-1-13(10)24-14/h3-6H,1-2,7-8,20H2,(H,21,22)
InChIKeyDSFJLUQABVBPCI-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119524124
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
CID 119353158
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 125120352
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120604998
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 120605601) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is NCc1cc(NC(=O)c2cc3c(s2)CCOC3)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is DSFJLUQABVBPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)11-3-9(7-20)4-12(6-11)21-15(22)14-5-10-8-23-2-1-13(10)24-14/h3-6H,1-2,7-8,20H2,(H,21,22).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 120605601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).