N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide

C12H26N2O2S — CID 70870749

IUPACN-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide
SMILESCNC1(CN(C)S(=O)(=O)C(C)C)CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)17(15,16)14(4)10-12(13-3)8-6-5-7-9-12/h11,13H,5-10H2,1-4H3
InChIKeyXEZSKOTZMYHKHT-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.58
Rot. Bonds5

About N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide

N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 70870749) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID70870749
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide
SMILESCNC1(CN(C)S(=O)(=O)C(C)C)CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)17(15,16)14(4)10-12(13-3)8-6-5-7-9-12/h11,13H,5-10H2,1-4H3
InChIKeyXEZSKOTZMYHKHT-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide (CID 70870749) is N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide is CNC1(CN(C)S(=O)(=O)C(C)C)CCCCC1.
What is the InChIKey of N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is XEZSKOTZMYHKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)17(15,16)14(4)10-12(13-3)8-6-5-7-9-12/h11,13H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide?
N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(methylamino)cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 70870749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).