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

C16H15F3N2OS2 — CID 120604699

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESNCc1cc(NC(=O)C2SCCc3sccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2OS2/c17-16(18,19)10-5-9(8-20)6-11(7-10)21-15(22)14-12-1-3-23-13(12)2-4-24-14/h1,3,5-7,14H,2,4,8,20H2,(H,21,22)
InChIKeyZXZCGOOXBZFKQQ-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.19
Rot. Bonds3

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

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (PubChem CID 120604699) has the molecular formula C16H15F3N2OS2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
PubChem CID120604699
Molecular FormulaC16H15F3N2OS2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESNCc1cc(NC(=O)C2SCCc3sccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2OS2/c17-16(18,19)10-5-9(8-20)6-11(7-10)21-15(22)14-12-1-3-23-13(12)2-4-24-14/h1,3,5-7,14H,2,4,8,20H2,(H,21,22)
InChIKeyZXZCGOOXBZFKQQ-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 120605171
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 120604991
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 120604551
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 120605277
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 120605419
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride
CID 119608602
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]thiopyran-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (CID 120604699) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is NCc1cc(NC(=O)C2SCCc3sccc32)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]thiopyran-4-carboxamide?
The InChIKey is ZXZCGOOXBZFKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS2/c17-16(18,19)10-5-9(8-20)6-11(7-10)21-15(22)14-12-1-3-23-13(12)2-4-24-14/h1,3,5-7,14H,2,4,8,20H2,(H,21,22).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 4.19, 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]thiopyran-4-carboxamide is sourced from PubChem (CID 120604699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).