(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine

C15H21N3OS — CID 128967905

IUPAC(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NCc1sccc1C
InChIInChI=1S/C15H21N3OS/c1-3-18-7-6-16-15(18)14-12(4-8-19-14)17-10-13-11(2)5-9-20-13/h5-7,9,12,14,17H,3-4,8,10H2,1-2H3/t12-,14-/m0/s1
InChIKeyXWGIPODEWILADA-JSGCOSHPSA-N
MW291.42 g/mol
LogP2.89
Rot. Bonds5

About (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine (PubChem CID 128967905) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
PubChem CID128967905
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NCc1sccc1C
InChIInChI=1S/C15H21N3OS/c1-3-18-7-6-16-15(18)14-12(4-8-19-14)17-10-13-11(2)5-9-20-13/h5-7,9,12,14,17H,3-4,8,10H2,1-2H3/t12-,14-/m0/s1
InChIKeyXWGIPODEWILADA-JSGCOSHPSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine with MolForge

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Related Compounds

(2-methoxyethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(3-methyl-2-thienyl)methyl]amine
CID 46986746
1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 75367330
N-[(1-methylimidazol-2-yl)methyl]-2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethanamine
CID 72142276
2-(3-Methylthiophen-2-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylamino)ethanol
CID 136551324
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63829073
2-(2,2-difluoroethoxy)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 105905369
1,1,1-Trifluoro-2-(1-methylimidazol-2-yl)-4-[(3-methylthiophen-2-yl)methylamino]butan-2-ol
CID 110929312
1-Ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine
CID 112000211
1-[(1-Methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 46954122
1-(1-methyl-1H-imidazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46987450
2-(3-methyl-2-thienyl)-1-(tetrahydro-2H-pyran-3-ylmethyl)-1H-imidazole
CID 56862801
2-[(1-Methylimidazol-2-yl)methyl]-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131643787

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine (CID 128967905) is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine is CCn1ccnc1[C@H]1OCC[C@@H]1NCc1sccc1C.
What is the InChIKey of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine?
The InChIKey is XWGIPODEWILADA-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-18-7-6-16-15(18)14-12(4-8-19-14)17-10-13-11(2)5-9-20-13/h5-7,9,12,14,17H,3-4,8,10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine?
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine has a molecular weight of 291.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 128967905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).