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

C11H18N2OS — CID 106923837

IUPAC[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1coc(SC2CCCCC2CN)n1
InChIInChI=1S/C11H18N2OS/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-6,12H2,1H3
InChIKeyTUEFKMHCNUGALS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.59
Rot. Bonds3

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

[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 106923837) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID106923837
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1coc(SC2CCCCC2CN)n1
InChIInChI=1S/C11H18N2OS/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-6,12H2,1H3
InChIKeyTUEFKMHCNUGALS-UHFFFAOYSA-N
XLogP2.59
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 106923837) is [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine is Cc1coc(SC2CCCCC2CN)n1.
What is the InChIKey of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is TUEFKMHCNUGALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-6,12H2,1H3.
What are the key properties of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 226.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 106923837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).