1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine

C12H15NS2 — CID 81398257

IUPAC1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1cccs1)c1ccsc1
InChIInChI=1S/C12H15NS2/c1-9(11-5-7-14-8-11)13-10(2)12-4-3-6-15-12/h3-10,13H,1-2H3/t9?,10-/m1/s1
InChIKeyUDEPMADDVJTXQR-QVDQXJPCSA-N
MW237.39 g/mol
LogP4.22
Rot. Bonds4

About 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine

1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 81398257) has the molecular formula C12H15NS2 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
PubChem CID81398257
Molecular FormulaC12H15NS2
Molecular Weight237.39 g/mol
Exact Mass237.06
IUPAC Name1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCC(N[C@H](C)c1cccs1)c1ccsc1
InChIInChI=1S/C12H15NS2/c1-9(11-5-7-14-8-11)13-10(2)12-4-3-6-15-12/h3-10,13H,1-2H3/t9?,10-/m1/s1
InChIKeyUDEPMADDVJTXQR-QVDQXJPCSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3-thiophen-2-yl-3-(1-thiophen-3-ylethylamino)propanoic acid
CID 62090331
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81409318
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977
N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55032423
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
CID 62089613
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (CID 81398257) is 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is CC(N[C@H](C)c1cccs1)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is UDEPMADDVJTXQR-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H15NS2/c1-9(11-5-7-14-8-11)13-10(2)12-4-3-6-15-12/h3-10,13H,1-2H3/t9?,10-/m1/s1.
What are the key properties of 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine has a molecular weight of 237.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 81398257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).