1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine

C16H25NO2S — CID 105027698

IUPAC1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCNC(c1ccc(S(C)(=O)=O)cc1)C1CCCCCC1
InChIInChI=1S/C16H25NO2S/c1-17-16(13-7-5-3-4-6-8-13)14-9-11-15(12-10-14)20(2,18)19/h9-13,16-17H,3-8H2,1-2H3
InChIKeyJATBCLKBPYVXKY-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.32
Rot. Bonds4

About 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine

1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 105027698) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
PubChem CID105027698
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCNC(c1ccc(S(C)(=O)=O)cc1)C1CCCCCC1
InChIInChI=1S/C16H25NO2S/c1-17-16(13-7-5-3-4-6-8-13)14-9-11-15(12-10-14)20(2,18)19/h9-13,16-17H,3-8H2,1-2H3
InChIKeyJATBCLKBPYVXKY-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018209
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
CID 96674488
4-[cyclobutyl(methylamino)methyl]-N-methylaniline
CID 116952141
1-cyclobutyl-1-(4-iodophenyl)-N-methylmethanamine
CID 105049443
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482256
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine (CID 105027698) is 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine is CNC(c1ccc(S(C)(=O)=O)cc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is JATBCLKBPYVXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-17-16(13-7-5-3-4-6-8-13)14-9-11-15(12-10-14)20(2,18)19/h9-13,16-17H,3-8H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 295.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 105027698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).