trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine

C12H11ClN2S — CID 56653333

IUPACtrans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C12H11ClN2S/c13-12-4-3-11(16-12)10-2-1-7(6-15-10)8-5-9(8)14/h1-4,6,8-9H,5,14H2/t8-,9+/m1/s1
InChIKeyTUCIRXQIJXDNFC-BDAKNGLRSA-N
MW250.75 g/mol
LogP3.28
Rot. Bonds2

About trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine

trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 56653333) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID56653333
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Nametrans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C12H11ClN2S/c13-12-4-3-11(16-12)10-2-1-7(6-15-10)8-5-9(8)14/h1-4,6,8-9H,5,14H2/t8-,9+/m1/s1
InChIKeyTUCIRXQIJXDNFC-BDAKNGLRSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.28
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-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine (CID 56653333) is trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine is N[C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)s2)nc1.
What is the InChIKey of trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is TUCIRXQIJXDNFC-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-12-4-3-11(16-12)10-2-1-7(6-15-10)8-5-9(8)14/h1-4,6,8-9H,5,14H2/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine?
trans-(1S,2R)-2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 250.75 g/mol, XLogP of 3.28, 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-(5-chlorothiophen-2-yl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 56653333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).