1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine

C11H17N3S — CID 106576782

IUPAC1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESC=CCn1ccnc1NCC1CCCS1
InChIInChI=1S/C11H17N3S/c1-2-6-14-7-5-12-11(14)13-9-10-4-3-8-15-10/h2,5,7,10H,1,3-4,6,8-9H2,(H,12,13)
InChIKeyFHPOCCQFTWZPBE-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.38
Rot. Bonds5

About 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine

1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106576782) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
PubChem CID106576782
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESC=CCn1ccnc1NCC1CCCS1
InChIInChI=1S/C11H17N3S/c1-2-6-14-7-5-12-11(14)13-9-10-4-3-8-15-10/h2,5,7,10H,1,3-4,6,8-9H2,(H,12,13)
InChIKeyFHPOCCQFTWZPBE-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
N-[(2-methylcyclohexyl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106563824
1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577148
1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576809
N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576814
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
N-[2-(oxolan-2-yl)ethyl]-1-prop-2-enylimidazol-2-amine
CID 106567466
N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
CID 106570341
N-butyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577111
N-(1-adamantyl)-1-prop-2-enylimidazol-2-amine
CID 106555856
2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585420

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine (CID 106576782) is 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine is C=CCn1ccnc1NCC1CCCS1.
What is the InChIKey of 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is FHPOCCQFTWZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-6-14-7-5-12-11(14)13-9-10-4-3-8-15-10/h2,5,7,10H,1,3-4,6,8-9H2,(H,12,13).
What are the key properties of 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine?
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 223.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106576782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).