N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine

C14H21NO3S — CID 102634672

IUPACN-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-15-13-5-3-4-6-14(13)18-11-7-9-12(10-8-11)19(2,16)17/h7-10,13-15H,3-6H2,1-2H3
InChIKeyGZJILUCSJYZYAE-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.00
Rot. Bonds4

About N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine

N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine (PubChem CID 102634672) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine
PubChem CID102634672
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-15-13-5-3-4-6-14(13)18-11-7-9-12(10-8-11)19(2,16)17/h7-10,13-15H,3-6H2,1-2H3
InChIKeyGZJILUCSJYZYAE-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine (CID 102634672) is N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine is CNC1CCCCC1Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine?
The InChIKey is GZJILUCSJYZYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-15-13-5-3-4-6-14(13)18-11-7-9-12(10-8-11)19(2,16)17/h7-10,13-15H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine?
N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylsulfonylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 102634672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).