1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine

C10H17N3O2S — CID 106566002

IUPAC1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine
SMILESCc1cn(C)c(NC2(C)CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N3O2S/c1-8-6-13(3)9(11-8)12-10(2)4-5-16(14,15)7-10/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyHJKXSJMMHXEJKC-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.72
Rot. Bonds2

About 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine

1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine (PubChem CID 106566002) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine
PubChem CID106566002
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine
SMILESCc1cn(C)c(NC2(C)CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N3O2S/c1-8-6-13(3)9(11-8)12-10(2)4-5-16(14,15)7-10/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyHJKXSJMMHXEJKC-UHFFFAOYSA-N
XLogP0.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 113306891
2-chloro-5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 79073567
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 83086859
1-cyclopropyl-4-methyl-N-(1-methylcyclopentyl)imidazol-2-amine
CID 106574506
6-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-nitropyridin-2-amine
CID 114070830
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679927
2-ethyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80934599
2-cyclopropyl-6-N-methyl-4-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 80957351
5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 43020385
2-methyl-3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-diamine
CID 63063432
6-hydrazinyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 80902625
methyl 5-acetyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697274

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine?
The IUPAC name of 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine (CID 106566002) is 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine.
What is the SMILES notation for 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine?
The canonical SMILES for 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine is Cc1cn(C)c(NC2(C)CCS(=O)(=O)C2)n1.
What is the InChIKey of 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine?
The InChIKey is HJKXSJMMHXEJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8-6-13(3)9(11-8)12-10(2)4-5-16(14,15)7-10/h6H,4-5,7H2,1-3H3,(H,11,12).
What are the key properties of 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine?
1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine has a molecular weight of 243.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106566002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).