[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine

C12H20N2OS — CID 106923865

IUPAC[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1coc(SC2CC(C)CCC2CN)n1
InChIInChI=1S/C12H20N2OS/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-6,13H2,1-2H3
InChIKeyWIUXXGMFSFGSCJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.84
Rot. Bonds3

About [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine

[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 106923865) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID106923865
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1coc(SC2CC(C)CCC2CN)n1
InChIInChI=1S/C12H20N2OS/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-6,13H2,1-2H3
InChIKeyWIUXXGMFSFGSCJ-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 106923865) is [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine is Cc1coc(SC2CC(C)CCC2CN)n1.
What is the InChIKey of [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is WIUXXGMFSFGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-3-4-10(6-13)11(5-8)16-12-14-9(2)7-15-12/h7-8,10-11H,3-6,13H2,1-2H3.
What are the key properties of [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 240.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 106923865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).