1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine

C12H22N4O2S — CID 105160379

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N4O2S/c1-9(2)16-12(14-8-15-16)6-11(13)5-10-3-4-19(17,18)7-10/h8-11H,3-7,13H2,1-2H3
InChIKeyGJGLZPKQANPFEU-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.55
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine

1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 105160379) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID105160379
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)n1ncnc1CC(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N4O2S/c1-9(2)16-12(14-8-15-16)6-11(13)5-10-3-4-19(17,18)7-10/h8-11H,3-7,13H2,1-2H3
InChIKeyGJGLZPKQANPFEU-UHFFFAOYSA-N
XLogP0.55
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine with MolForge

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Related Compounds

1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103986790
1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 105108151
1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168878
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
CID 105171707
1-(2,3-difluorophenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
CID 105137706
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999458
1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107411
4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-one
CID 83261342
2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105148582

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine (CID 105160379) is 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is CC(C)n1ncnc1CC(N)CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is GJGLZPKQANPFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9(2)16-12(14-8-15-16)6-11(13)5-10-3-4-19(17,18)7-10/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine?
1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 286.40 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 105160379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).