(1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine

C8H14NOPS — CID 170899597

IUPAC(1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine
SMILESC[C@H](N)c1ccc(P(C)(C)=O)s1
InChIInChI=1S/C8H14NOPS/c1-6(9)7-4-5-8(12-7)11(2,3)10/h4-6H,9H2,1-3H3/t6-/m0/s1
InChIKeyRKXGCTQSWUFIPG-LURJTMIESA-N
MW203.25 g/mol
LogP2.02
Rot. Bonds2

About (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine

(1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine (PubChem CID 170899597) has the molecular formula C8H14NOPS and a molecular weight of 203.25 g/mol. Its IUPAC name is (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine
PubChem CID170899597
Molecular FormulaC8H14NOPS
Molecular Weight203.25 g/mol
Exact Mass203.05
IUPAC Name(1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine
SMILESC[C@H](N)c1ccc(P(C)(C)=O)s1
InChIInChI=1S/C8H14NOPS/c1-6(9)7-4-5-8(12-7)11(2,3)10/h4-6H,9H2,1-3H3/t6-/m0/s1
InChIKeyRKXGCTQSWUFIPG-LURJTMIESA-N
XLogP2.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine?
The IUPAC name of (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine (CID 170899597) is (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine is C[C@H](N)c1ccc(P(C)(C)=O)s1.
What is the InChIKey of (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine?
The InChIKey is RKXGCTQSWUFIPG-LURJTMIESA-N. The full InChI is InChI=1S/C8H14NOPS/c1-6(9)7-4-5-8(12-7)11(2,3)10/h4-6H,9H2,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine?
(1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine has a molecular weight of 203.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-dimethylphosphorylthiophen-2-yl)ethanamine is sourced from PubChem (CID 170899597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).