(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine

C15H16N2S — CID 97231021

IUPAC(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C15H16N2S/c1-11(15-7-4-8-18-15)16-10-13-9-12-5-2-3-6-14(12)17-13/h2-9,11,16-17H,10H2,1H3/t11-/m0/s1
InChIKeyDNOXPLLOYKQMNC-NSHDSACASA-N
MW256.37 g/mol
LogP4.08
Rot. Bonds4

About (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine

(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 97231021) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID97231021
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C15H16N2S/c1-11(15-7-4-8-18-15)16-10-13-9-12-5-2-3-6-14(12)17-13/h2-9,11,16-17H,10H2,1H3/t11-/m0/s1
InChIKeyDNOXPLLOYKQMNC-NSHDSACASA-N
XLogP4.08
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine
CID 115763447
1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
CID 28683496
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 107042155
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine (CID 97231021) is (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine is C[C@H](NCc1cc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is DNOXPLLOYKQMNC-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2S/c1-11(15-7-4-8-18-15)16-10-13-9-12-5-2-3-6-14(12)17-13/h2-9,11,16-17H,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine?
(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 256.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 97231021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).