trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine

C16H14N2S — CID 56654362

IUPACtrans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cc3ccccc3s2)nc1
InChIInChI=1S/C16H14N2S/c17-13-8-12(13)11-5-6-14(18-9-11)16-7-10-3-1-2-4-15(10)19-16/h1-7,9,12-13H,8,17H2/t12-,13+/m1/s1
InChIKeyPCSVCAMUOMIPFD-OLZOCXBDSA-N
MW266.37 g/mol
LogP3.78
Rot. Bonds2

About trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine

trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 56654362) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID56654362
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Nametrans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cc3ccccc3s2)nc1
InChIInChI=1S/C16H14N2S/c17-13-8-12(13)11-5-6-14(18-9-11)16-7-10-3-1-2-4-15(10)19-16/h1-7,9,12-13H,8,17H2/t12-,13+/m1/s1
InChIKeyPCSVCAMUOMIPFD-OLZOCXBDSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine (CID 56654362) is trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine is N[C@H]1C[C@@H]1c1ccc(-c2cc3ccccc3s2)nc1.
What is the InChIKey of trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is PCSVCAMUOMIPFD-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H14N2S/c17-13-8-12(13)11-5-6-14(18-9-11)16-7-10-3-1-2-4-15(10)19-16/h1-7,9,12-13H,8,17H2/t12-,13+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine?
trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 56654362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).