methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole

C15H21N3OS — CID 143248312

IUPACmethanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole
SMILESCN.Cn1ccnc1S(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16N2OS.CH5N/c1-16-9-8-15-14(16)18(17)13-7-6-11-4-2-3-5-12(11)10-13;1-2/h6-10H,2-5H2,1H3;2H2,1H3
InChIKeyHLGDWIVDDYDYPE-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.04
Rot. Bonds2

About methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole

methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole (PubChem CID 143248312) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole.

Molecular Properties

Compound Namemethanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole
PubChem CID143248312
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Namemethanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole
SMILESCN.Cn1ccnc1S(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16N2OS.CH5N/c1-16-9-8-15-14(16)18(17)13-7-6-11-4-2-3-5-12(11)10-13;1-2/h6-10H,2-5H2,1H3;2H2,1H3
InChIKeyHLGDWIVDDYDYPE-UHFFFAOYSA-N
XLogP2.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole?
The IUPAC name of methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole (CID 143248312) is methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole.
What is the SMILES notation for methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole?
The canonical SMILES for methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole is CN.Cn1ccnc1S(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole?
The InChIKey is HLGDWIVDDYDYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS.CH5N/c1-16-9-8-15-14(16)18(17)13-7-6-11-4-2-3-5-12(11)10-13;1-2/h6-10H,2-5H2,1H3;2H2,1H3.
What are the key properties of methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole?
methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole has a molecular weight of 291.42 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfinyl)imidazole is sourced from PubChem (CID 143248312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).