2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine

C17H33NO2S — CID 105014178

IUPAC2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
SMILESCNC(CC1CCCCCC1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C17H33NO2S/c1-18-17(12-14-8-5-3-4-6-9-14)15-10-7-11-16(13-15)21(2,19)20/h14-18H,3-13H2,1-2H3
InChIKeyCMZANXKHLQQZOW-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.54
Rot. Bonds5

About 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine

2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine (PubChem CID 105014178) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
PubChem CID105014178
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC Name2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
SMILESCNC(CC1CCCCCC1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C17H33NO2S/c1-18-17(12-14-8-5-3-4-6-9-14)15-10-7-11-16(13-15)21(2,19)20/h14-18H,3-13H2,1-2H3
InChIKeyCMZANXKHLQQZOW-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105324224
N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine
CID 105014333
[2-methylsulfanyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105213955
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987433
3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 105259284
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106830383
N-ethyl-3-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014219
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine (CID 105014178) is 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine is CNC(CC1CCCCCC1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine?
The InChIKey is CMZANXKHLQQZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-18-17(12-14-8-5-3-4-6-9-14)15-10-7-11-16(13-15)21(2,19)20/h14-18H,3-13H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine?
2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine has a molecular weight of 315.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine is sourced from PubChem (CID 105014178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).