trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine

C7H9NS — CID 28901759

IUPACtrans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccsc1
InChIInChI=1S/C7H9NS/c8-7-3-6(7)5-1-2-9-4-5/h1-2,4,6-7H,3,8H2/t6-,7+/m0/s1
InChIKeyLMXUPPWQKXDJNR-NKWVEPMBSA-N
MW139.22 g/mol
LogP1.56
Rot. Bonds1

About trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine

trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine (PubChem CID 28901759) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine
PubChem CID28901759
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Nametrans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccsc1
InChIInChI=1S/C7H9NS/c8-7-3-6(7)5-1-2-9-4-5/h1-2,4,6-7H,3,8H2/t6-,7+/m0/s1
InChIKeyLMXUPPWQKXDJNR-NKWVEPMBSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine (CID 28901759) is trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine is N[C@@H]1C[C@H]1c1ccsc1.
What is the InChIKey of trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine?
The InChIKey is LMXUPPWQKXDJNR-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H9NS/c8-7-3-6(7)5-1-2-9-4-5/h1-2,4,6-7H,3,8H2/t6-,7+/m0/s1.
What are the key properties of trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine?
trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine has a molecular weight of 139.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-thiophen-3-ylcyclopropan-1-amine is sourced from PubChem (CID 28901759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).