N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine

C11H19N3OS — CID 106576813

IUPACN-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESCOCCNc1nccn1CC1CCCS1
InChIInChI=1S/C11H19N3OS/c1-15-7-5-13-11-12-4-6-14(11)9-10-3-2-8-16-10/h4,6,10H,2-3,5,7-9H2,1H3,(H,12,13)
InChIKeyMYGUPCXYZLZHTL-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.84
Rot. Bonds6

About N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine

N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106576813) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
PubChem CID106576813
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESCOCCNc1nccn1CC1CCCS1
InChIInChI=1S/C11H19N3OS/c1-15-7-5-13-11-12-4-6-14(11)9-10-3-2-8-16-10/h4,6,10H,2-3,5,7-9H2,1H3,(H,12,13)
InChIKeyMYGUPCXYZLZHTL-UHFFFAOYSA-N
XLogP1.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
N-butyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577111
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577112
N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565280
N-(2-methoxyethyl)-1-(thian-3-yl)imidazol-2-amine
CID 106582594
1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
N-(2-cyclohexyloxyethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106573338
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576782
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine (CID 106576813) is N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine is COCCNc1nccn1CC1CCCS1.
What is the InChIKey of N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is MYGUPCXYZLZHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-15-7-5-13-11-12-4-6-14(11)9-10-3-2-8-16-10/h4,6,10H,2-3,5,7-9H2,1H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine?
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106576813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).