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

C12H21N3O2S — CID 106569460

IUPAC1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21N3O2S/c1-3-5-13-12-14-10(2)7-15(12)8-11-4-6-18(16,17)9-11/h7,11H,3-6,8-9H2,1-2H3,(H,13,14)
InChIKeyDHDQHLXVBFCRRF-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.45
Rot. Bonds5

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

1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine (PubChem CID 106569460) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine
PubChem CID106569460
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21N3O2S/c1-3-5-13-12-14-10(2)7-15(12)8-11-4-6-18(16,17)9-11/h7,11H,3-6,8-9H2,1-2H3,(H,13,14)
InChIKeyDHDQHLXVBFCRRF-UHFFFAOYSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569484
N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571745
1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555207
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106564255
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
N-(3-ethoxypropyl)-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565099
N-(3-methoxypropyl)-4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563068
N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine
CID 106569453
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106567072
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
1-(1-cyclopropylpropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106572732

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine (CID 106569460) is 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine?
The InChIKey is DHDQHLXVBFCRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-5-13-12-14-10(2)7-15(12)8-11-4-6-18(16,17)9-11/h7,11H,3-6,8-9H2,1-2H3,(H,13,14).
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine?
1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine has a molecular weight of 271.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106569460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).