(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine

C11H13NS2 — CID 28668621

IUPAC(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccs1)c1cccs1
InChIInChI=1S/C11H13NS2/c1-9(11-5-3-7-14-11)12-8-10-4-2-6-13-10/h2-7,9,12H,8H2,1H3/t9-/m0/s1
InChIKeyCYDFIWHBAAWJLU-VIFPVBQESA-N
MW223.37 g/mol
LogP3.66
Rot. Bonds4

About (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine

(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 28668621) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID28668621
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccs1)c1cccs1
InChIInChI=1S/C11H13NS2/c1-9(11-5-3-7-14-11)12-8-10-4-2-6-13-10/h2-7,9,12H,8H2,1H3/t9-/m0/s1
InChIKeyCYDFIWHBAAWJLU-VIFPVBQESA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
N-(thiophen-2-ylmethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 43106256
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 103605426
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346

Frequently Asked Questions

What is the IUPAC name of (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine (CID 28668621) is (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine is C[C@H](NCc1cccs1)c1cccs1.
What is the InChIKey of (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is CYDFIWHBAAWJLU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NS2/c1-9(11-5-3-7-14-11)12-8-10-4-2-6-13-10/h2-7,9,12H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine?
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 223.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 28668621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).