N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine

C16H33NO2S — CID 106735621

IUPACN-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
SMILESCNCC1CCC(C(C)C)CC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C16H33NO2S/c1-12(2)14-6-7-16(11-17-5)15(10-14)8-9-20(18,19)13(3)4/h12-17H,6-11H2,1-5H3
InChIKeyOMTAJRCNXDUVTJ-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.11
Rot. Bonds7

About N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine

N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine (PubChem CID 106735621) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
PubChem CID106735621
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC NameN-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
SMILESCNCC1CCC(C(C)C)CC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C16H33NO2S/c1-12(2)14-6-7-16(11-17-5)15(10-14)8-9-20(18,19)13(3)4/h12-17H,6-11H2,1-5H3
InChIKeyOMTAJRCNXDUVTJ-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine (CID 106735621) is N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine is CNCC1CCC(C(C)C)CC1CCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine?
The InChIKey is OMTAJRCNXDUVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-12(2)14-6-7-16(11-17-5)15(10-14)8-9-20(18,19)13(3)4/h12-17H,6-11H2,1-5H3.
What are the key properties of N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine?
N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine has a molecular weight of 303.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106735621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).