N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

C12H21N3O3S — CID 106562574

IUPACN-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H21N3O3S/c1-10-9-15(5-6-18-2)12(13-10)14-11-3-7-19(16,17)8-4-11/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyANUCNECORHBXLP-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.83
Rot. Bonds5

About N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106562574) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106562574
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H21N3O3S/c1-10-9-15(5-6-18-2)12(13-10)14-11-3-7-19(16,17)8-4-11/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyANUCNECORHBXLP-UHFFFAOYSA-N
XLogP0.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
1-(2-methoxyethyl)-4-methyl-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560145
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-propylpiperidin-4-amine
CID 106568414
1-(2-methoxyethyl)-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
CID 106577277
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1,2-dimethylpiperidin-4-amine
CID 106578397
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106574276
1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine
CID 106582144
N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106578749
N-(2-ethylcyclohexyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568150
N-(2-cyclopentyloxyethyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106573155
1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine
CID 106561751

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106562574) is N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is ANUCNECORHBXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10-9-15(5-6-18-2)12(13-10)14-11-3-7-19(16,17)8-4-11/h9,11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 287.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106562574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).