N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine

C16H32N2O2S — CID 81033463

IUPACN-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H32N2O2S/c1-13-6-7-15(11-17-2)16(9-13)10-14-5-4-8-18(12-14)21(3,19)20/h13-17H,4-12H2,1-3H3
InChIKeyRMZWRVOQGKHJDF-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.32
Rot. Bonds5

About N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine

N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 81033463) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
PubChem CID81033463
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H32N2O2S/c1-13-6-7-15(11-17-2)16(9-13)10-14-5-4-8-18(12-14)21(3,19)20/h13-17H,4-12H2,1-3H3
InChIKeyRMZWRVOQGKHJDF-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 79610709
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
CID 79609993
3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132238
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine (CID 81033463) is N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine is CNCC1CCC(C)CC1CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is RMZWRVOQGKHJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-13-6-7-15(11-17-2)16(9-13)10-14-5-4-8-18(12-14)21(3,19)20/h13-17H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine?
N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 316.51 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81033463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).