[2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine

C16H25NO3S — CID 64696405

IUPAC[2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine
SMILESCC1CCCC(S(=O)(=O)CCOc2ccccc2CN)C1
InChIInChI=1S/C16H25NO3S/c1-13-5-4-7-15(11-13)21(18,19)10-9-20-16-8-3-2-6-14(16)12-17/h2-3,6,8,13,15H,4-5,7,9-12,17H2,1H3
InChIKeyGMPIQJNZMIASLZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.52
Rot. Bonds6

About [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine

[2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine (PubChem CID 64696405) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine
PubChem CID64696405
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name[2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine
SMILESCC1CCCC(S(=O)(=O)CCOc2ccccc2CN)C1
InChIInChI=1S/C16H25NO3S/c1-13-5-4-7-15(11-13)21(18,19)10-9-20-16-8-3-2-6-14(16)12-17/h2-3,6,8,13,15H,4-5,7,9-12,17H2,1H3
InChIKeyGMPIQJNZMIASLZ-UHFFFAOYSA-N
XLogP2.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine (CID 64696405) is [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine is CC1CCCC(S(=O)(=O)CCOc2ccccc2CN)C1.
What is the InChIKey of [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine?
The InChIKey is GMPIQJNZMIASLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13-5-4-7-15(11-13)21(18,19)10-9-20-16-8-3-2-6-14(16)12-17/h2-3,6,8,13,15H,4-5,7,9-12,17H2,1H3.
What are the key properties of [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine?
[2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine has a molecular weight of 311.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylcyclohexyl)sulfonylethoxy]phenyl]methanamine is sourced from PubChem (CID 64696405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).