3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C16H15NOS — CID 91137001

IUPAC3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESNc1sc2c(c1-c1cc3ccccc3o1)CCCC2
InChIInChI=1S/C16H15NOS/c17-16-15(11-6-2-4-8-14(11)19-16)13-9-10-5-1-3-7-12(10)18-13/h1,3,5,7,9H,2,4,6,8,17H2
InChIKeyVRCMNEAXEAHNAD-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.62
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 91137001) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID91137001
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESNc1sc2c(c1-c1cc3ccccc3o1)CCCC2
InChIInChI=1S/C16H15NOS/c17-16-15(11-6-2-4-8-14(11)19-16)13-9-10-5-1-3-7-12(10)18-13/h1,3,5,7,9H,2,4,6,8,17H2
InChIKeyVRCMNEAXEAHNAD-UHFFFAOYSA-N
XLogP4.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 82366390
3-(4-methyl-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 61037952
2-[4-(1-benzofuran-2-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propanoic acid
CID 66603419
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83091886
3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 45117633
2-(1-benzofuran-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975514
3-(2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 62696246
2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864350
3-(1-benzofuran-2-yl)cyclopent-2-en-1-amine
CID 114733648
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-(5-methylthiophen-2-yl)-1-benzofuran
CID 24744243
3-(1-benzofuran-2-yl)-4,4-dimethylcyclohex-2-en-1-one
CID 140979480

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 91137001) is 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is Nc1sc2c(c1-c1cc3ccccc3o1)CCCC2.
What is the InChIKey of 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is VRCMNEAXEAHNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c17-16-15(11-6-2-4-8-14(11)19-16)13-9-10-5-1-3-7-12(10)18-13/h1,3,5,7,9H,2,4,6,8,17H2.
What are the key properties of 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 269.37 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 91137001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).