2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine

C14H19N3OS — CID 82725457

IUPAC2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine
SMILESCC1OCCC1NC(c1cccs1)c1nccn1C
InChIInChI=1S/C14H19N3OS/c1-10-11(5-8-18-10)16-13(12-4-3-9-19-12)14-15-6-7-17(14)2/h3-4,6-7,9-11,13,16H,5,8H2,1-2H3
InChIKeyXDMANCLHYHOWMX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.34
Rot. Bonds4

About 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine

2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine (PubChem CID 82725457) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine
PubChem CID82725457
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine
SMILESCC1OCCC1NC(c1cccs1)c1nccn1C
InChIInChI=1S/C14H19N3OS/c1-10-11(5-8-18-10)16-13(12-4-3-9-19-12)14-15-6-7-17(14)2/h3-4,6-7,9-11,13,16H,5,8H2,1-2H3
InChIKeyXDMANCLHYHOWMX-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine (CID 82725457) is 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine is CC1OCCC1NC(c1cccs1)c1nccn1C.
What is the InChIKey of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine?
The InChIKey is XDMANCLHYHOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-11(5-8-18-10)16-13(12-4-3-9-19-12)14-15-6-7-17(14)2/h3-4,6-7,9-11,13,16H,5,8H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine?
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine has a molecular weight of 277.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine is sourced from PubChem (CID 82725457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).