N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine

C11H19N3S — CID 80622951

IUPACN-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)C1CCCS1
InChIInChI=1S/C11H19N3S/c1-12-9(10-4-3-7-15-10)8-11-13-5-6-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyNHQWGETVRBYTTA-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.45
Rot. Bonds4

About N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine

N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine (PubChem CID 80622951) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
PubChem CID80622951
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)C1CCCS1
InChIInChI=1S/C11H19N3S/c1-12-9(10-4-3-7-15-10)8-11-13-5-6-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyNHQWGETVRBYTTA-UHFFFAOYSA-N
XLogP1.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine (CID 80622951) is N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine is CNC(Cc1nccn1C)C1CCCS1.
What is the InChIKey of N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is NHQWGETVRBYTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-12-9(10-4-3-7-15-10)8-11-13-5-6-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine?
N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80622951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).