(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine

C13H21NO2S — CID 97107019

IUPAC(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCOC1(CN[C@@H](C)c2ccsc2)CCOCC1
InChIInChI=1S/C13H21NO2S/c1-11(12-3-8-17-9-12)14-10-13(15-2)4-6-16-7-5-13/h3,8-9,11,14H,4-7,10H2,1-2H3/t11-/m0/s1
InChIKeyALMADHRDWGBUOZ-NSHDSACASA-N
MW255.38 g/mol
LogP2.59
Rot. Bonds5

About (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine

(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 97107019) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID97107019
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCOC1(CN[C@@H](C)c2ccsc2)CCOCC1
InChIInChI=1S/C13H21NO2S/c1-11(12-3-8-17-9-12)14-10-13(15-2)4-6-16-7-5-13/h3,8-9,11,14H,4-7,10H2,1-2H3/t11-/m0/s1
InChIKeyALMADHRDWGBUOZ-NSHDSACASA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine
CID 97230647
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65116695
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771
4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 104759725
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
3-fluoro-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 107715417
(1R)-1-(3,4-difluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-2-methylpropan-1-amine
CID 99777290

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine (CID 97107019) is (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine is COC1(CN[C@@H](C)c2ccsc2)CCOCC1.
What is the InChIKey of (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is ALMADHRDWGBUOZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11(12-3-8-17-9-12)14-10-13(15-2)4-6-16-7-5-13/h3,8-9,11,14H,4-7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine?
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 97107019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).