1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine

C15H21NO2S — CID 55034413

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCNC(C1=CCCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21NO2S/c1-16-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(2,17)18/h6,8-11,15-16H,3-5,7H2,1-2H3
InChIKeyOXUDBZVCAVNKHO-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.85
Rot. Bonds4

About 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine

1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 55034413) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
PubChem CID55034413
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCNC(C1=CCCCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21NO2S/c1-16-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(2,17)18/h6,8-11,15-16H,3-5,7H2,1-2H3
InChIKeyOXUDBZVCAVNKHO-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069
1-(cyclopenten-1-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62077852
N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991282
[(1E)-cycloocten-1-yl]-(3-methylsulfonylphenyl)methanamine
CID 106656429
1-(cycloocten-1-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 106656405
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 62079581
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 57149515
1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
CID 106652944

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine (CID 55034413) is 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine is CNC(C1=CCCCC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is OXUDBZVCAVNKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-16-15(12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(2,17)18/h6,8-11,15-16H,3-5,7H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 279.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 55034413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).