(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine

C12H19NOS — CID 81409134

IUPAC(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCCC1CCCO1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-10(12-5-3-9-15-12)13-7-6-11-4-2-8-14-11/h3,5,9-11,13H,2,4,6-8H2,1H3/t10-,11?/m0/s1
InChIKeyUGEOLXFZYIZXGE-VUWPPUDQSA-N
MW225.36 g/mol
LogP2.97
Rot. Bonds5

About (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine

(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 81409134) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID81409134
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCCC1CCCO1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-10(12-5-3-9-15-12)13-7-6-11-4-2-8-14-11/h3,5,9-11,13H,2,4,6-8H2,1H3/t10-,11?/m0/s1
InChIKeyUGEOLXFZYIZXGE-VUWPPUDQSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983947
N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
CID 65164005
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 104579371

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine (CID 81409134) is (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine is C[C@H](NCCC1CCCO1)c1cccs1.
What is the InChIKey of (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is UGEOLXFZYIZXGE-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(12-5-3-9-15-12)13-7-6-11-4-2-8-14-11/h3,5,9-11,13H,2,4,6-8H2,1H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine?
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81409134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).