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

C11H19N3S — CID 80585420

IUPAC2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCc1nccn1CCNCC1CCCS1
InChIInChI=1S/C11H19N3S/c1-10-13-5-7-14(10)6-4-12-9-11-3-2-8-15-11/h5,7,11-12H,2-4,6,8-9H2,1H3
InChIKeyWKHMXFDLGBHOPS-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.68
Rot. Bonds5

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

2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 80585420) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID80585420
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCc1nccn1CCNCC1CCCS1
InChIInChI=1S/C11H19N3S/c1-10-13-5-7-14(10)6-4-12-9-11-3-2-8-15-11/h5,7,11-12H,2-4,6,8-9H2,1H3
InChIKeyWKHMXFDLGBHOPS-UHFFFAOYSA-N
XLogP1.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576814
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63966284
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine (CID 80585420) is 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine is Cc1nccn1CCNCC1CCCS1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is WKHMXFDLGBHOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10-13-5-7-14(10)6-4-12-9-11-3-2-8-15-11/h5,7,11-12H,2-4,6,8-9H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine?
2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80585420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).