(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine

C12H20N2S — CID 9079352

IUPAC(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
SMILESNC[C@@H](c1cccs1)N1CCCCCC1
InChIInChI=1S/C12H20N2S/c13-10-11(12-6-5-9-15-12)14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,13H2/t11-/m0/s1
InChIKeyHFJGSTGLKXVXAC-NSHDSACASA-N
MW224.37 g/mol
LogP2.62
Rot. Bonds3

About (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine

(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine (PubChem CID 9079352) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
PubChem CID9079352
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
SMILESNC[C@@H](c1cccs1)N1CCCCCC1
InChIInChI=1S/C12H20N2S/c13-10-11(12-6-5-9-15-12)14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,13H2/t11-/m0/s1
InChIKeyHFJGSTGLKXVXAC-NSHDSACASA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
2-(3-azaspiro[5.5]undecan-3-yl)-2-thiophen-2-ylethanamine
CID 62935626
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-thiophen-2-ylethanamine
CID 114083369
2-(azepan-1-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 55108750
1-(2-amino-1-thiophen-2-ylethyl)pyrrolidin-3-ol
CID 62941144
2-pyrrol-1-yl-2-thiophen-2-ylethanamine
CID 55262597
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
CID 9161313
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
CID 16642687
4-pyrrolidin-1-yl-4-thiophen-2-ylbutan-2-one;hydrochloride
CID 67780498
2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine (CID 9079352) is (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine is NC[C@@H](c1cccs1)N1CCCCCC1.
What is the InChIKey of (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine?
The InChIKey is HFJGSTGLKXVXAC-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2S/c13-10-11(12-6-5-9-15-12)14-7-3-1-2-4-8-14/h5-6,9,11H,1-4,7-8,10,13H2/t11-/m0/s1.
What are the key properties of (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine?
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 9079352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).