(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine

C11H12BrNS2 — CID 28833552

IUPAC(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cc(Br)cs1)c1cccs1
InChIInChI=1S/C11H12BrNS2/c1-8(11-3-2-4-14-11)13-6-10-5-9(12)7-15-10/h2-5,7-8,13H,6H2,1H3/t8-/m0/s1
InChIKeyPYSJZJJWGSOPAJ-QMMMGPOBSA-N
MW302.26 g/mol
LogP4.42
Rot. Bonds4

About (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 28833552) has the molecular formula C11H12BrNS2 and a molecular weight of 302.26 g/mol. Its IUPAC name is (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID28833552
Molecular FormulaC11H12BrNS2
Molecular Weight302.26 g/mol
Exact Mass300.96
IUPAC Name(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cc(Br)cs1)c1cccs1
InChIInChI=1S/C11H12BrNS2/c1-8(11-3-2-4-14-11)13-6-10-5-9(12)7-15-10/h2-5,7-8,13H,6H2,1H3/t8-/m0/s1
InChIKeyPYSJZJJWGSOPAJ-QMMMGPOBSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]thiophene-3-carboxylic acid
CID 81398371
N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 43085346
N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 62084292
4-bromo-2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 102675102
N-[(4-bromo-2-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 115651396
4-bromo-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 113229716
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine (CID 28833552) is (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine is C[C@H](NCc1cc(Br)cs1)c1cccs1.
What is the InChIKey of (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is PYSJZJJWGSOPAJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12BrNS2/c1-8(11-3-2-4-14-11)13-6-10-5-9(12)7-15-10/h2-5,7-8,13H,6H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 302.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 28833552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).