N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine

C12H19N3O2S — CID 106569484

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O2S/c1-3-5-15-8-10(2)14-12(15)13-7-11-4-6-18(16,17)9-11/h3,8,11H,1,4-7,9H2,2H3,(H,13,14)
InChIKeyFLTDFPFQQGSCPX-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.22
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106569484) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106569484
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCC1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O2S/c1-3-5-15-8-10(2)14-12(15)13-7-11-4-6-18(16,17)9-11/h3,8,11H,1,4-7,9H2,2H3,(H,13,14)
InChIKeyFLTDFPFQQGSCPX-UHFFFAOYSA-N
XLogP1.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine
CID 106569460
4-methyl-1-prop-2-enyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576478
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
1-(1,1-dioxothian-4-yl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106562577
4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine
CID 106581460
2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
CID 106566233
N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106564756
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475447
N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
CID 106570425
N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80908878
4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571379
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106569484) is N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is FLTDFPFQQGSCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-5-15-8-10(2)14-12(15)13-7-11-4-6-18(16,17)9-11/h3,8,11H,1,4-7,9H2,2H3,(H,13,14).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 269.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106569484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).