(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine

C12H19NOS — CID 81409334

IUPAC(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@H](NCC1CCCCO1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-10(12-6-4-8-15-12)13-9-11-5-2-3-7-14-11/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3/t10-,11?/m0/s1
InChIKeyRJFXKZOQOXWUID-VUWPPUDQSA-N
MW225.36 g/mol
LogP2.97
Rot. Bonds4

About (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine

(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 81409334) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID81409334
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@H](NCC1CCCCO1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-10(12-6-4-8-15-12)13-9-11-5-2-3-7-14-11/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3/t10-,11?/m0/s1
InChIKeyRJFXKZOQOXWUID-VUWPPUDQSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 107167331
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine (CID 81409334) is (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine is C[C@H](NCC1CCCCO1)c1cccs1.
What is the InChIKey of (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is RJFXKZOQOXWUID-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(12-6-4-8-15-12)13-9-11-5-2-3-7-14-11/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine?
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81409334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).