[1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine

C12H25NO3S — CID 65050512

IUPAC[1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine
SMILESCCS(=O)(=O)CCOC1(CN)CCC(C)CC1
InChIInChI=1S/C12H25NO3S/c1-3-17(14,15)9-8-16-12(10-13)6-4-11(2)5-7-12/h11H,3-10,13H2,1-2H3
InChIKeyOHELJIFPTWQWJH-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.35
Rot. Bonds6

About [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine

[1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine (PubChem CID 65050512) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine
PubChem CID65050512
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name[1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine
SMILESCCS(=O)(=O)CCOC1(CN)CCC(C)CC1
InChIInChI=1S/C12H25NO3S/c1-3-17(14,15)9-8-16-12(10-13)6-4-11(2)5-7-12/h11H,3-10,13H2,1-2H3
InChIKeyOHELJIFPTWQWJH-UHFFFAOYSA-N
XLogP1.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine (CID 65050512) is [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine is CCS(=O)(=O)CCOC1(CN)CCC(C)CC1.
What is the InChIKey of [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is OHELJIFPTWQWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-17(14,15)9-8-16-12(10-13)6-4-11(2)5-7-12/h11H,3-10,13H2,1-2H3.
What are the key properties of [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine?
[1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 263.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylsulfonylethoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 65050512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).