N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

C11H19N3O3S — CID 106557898

IUPACN-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N3O3S/c1-9(7-17-2)14-5-4-12-11(14)13-10-3-6-18(15,16)8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13)
InChIKeyBVPQPGCSUFQWLH-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.69
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106557898) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106557898
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N3O3S/c1-9(7-17-2)14-5-4-12-11(14)13-10-3-6-18(15,16)8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13)
InChIKeyBVPQPGCSUFQWLH-UHFFFAOYSA-N
XLogP0.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566534
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563876
2-N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106578621
N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine
CID 106582432
1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570244
N-(2-ethoxypropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106581219
N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556239
N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine
CID 106569453
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
4-N-(1,1-dioxothiolan-3-yl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856867

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106557898) is N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)n1ccnc1NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is BVPQPGCSUFQWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9(7-17-2)14-5-4-12-11(14)13-10-3-6-18(15,16)8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106557898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).