1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide

C13H21N3O2S — CID 50958089

IUPAC1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCc2cnc(SC)n2C)CCC1
InChIInChI=1S/C13H21N3O2S/c1-16-10(8-15-12(16)19-3)7-14-11(17)13(9-18-2)5-4-6-13/h8H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyUGQQEKFRGNFVIJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.57
Rot. Bonds6

About 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 50958089) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide
PubChem CID50958089
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NCc2cnc(SC)n2C)CCC1
InChIInChI=1S/C13H21N3O2S/c1-16-10(8-15-12(16)19-3)7-14-11(17)13(9-18-2)5-4-6-13/h8H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyUGQQEKFRGNFVIJ-UHFFFAOYSA-N
XLogP1.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide (CID 50958089) is 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide is COCC1(C(=O)NCc2cnc(SC)n2C)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is UGQQEKFRGNFVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16-10(8-15-12(16)19-3)7-14-11(17)13(9-18-2)5-4-6-13/h8H,4-7,9H2,1-3H3,(H,14,17).
What are the key properties of 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 50958089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).