4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine

C15H23NO2S — CID 65081108

IUPAC4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23NO2S/c1-12-4-3-5-13(7-6-12)16-14-8-10-15(11-9-14)19(2,17)18/h8-13,16H,3-7H2,1-2H3
InChIKeyDVJVPFLDGOKDAA-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.47
Rot. Bonds3

About 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine

4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine (PubChem CID 65081108) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
PubChem CID65081108
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H23NO2S/c1-12-4-3-5-13(7-6-12)16-14-8-10-15(11-9-14)19(2,17)18/h8-13,16H,3-7H2,1-2H3
InChIKeyDVJVPFLDGOKDAA-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorocyclohexyl)-4-methylsulfonylaniline
CID 65027643
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N-(4-methylcyclohexyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-amine
CID 46238878
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
4-[(4-methylcyclohexyl)amino]benzaldehyde
CID 145346630
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine
CID 65079913
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline
CID 55033416
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
1-N-(4-methylcyclohexyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448004
N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine
CID 24693954

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine (CID 65081108) is 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine is CC1CCCC(Nc2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine?
The InChIKey is DVJVPFLDGOKDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-4-3-5-13(7-6-12)16-14-8-10-15(11-9-14)19(2,17)18/h8-13,16H,3-7H2,1-2H3.
What are the key properties of 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine?
4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65081108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).