N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

C14H28N2O3S — CID 63246691

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCC1CCCC(CN)(N(C)S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C14H28N2O3S/c1-12-5-3-7-14(9-12,11-15)16(2)20(17,18)10-13-6-4-8-19-13/h12-13H,3-11,15H2,1-2H3
InChIKeyGOCLTOHXYCETDK-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.33
Rot. Bonds5

About N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246691) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246691
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCC1CCCC(CN)(N(C)S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C14H28N2O3S/c1-12-5-3-7-14(9-12,11-15)16(2)20(17,18)10-13-6-4-8-19-13/h12-13H,3-11,15H2,1-2H3
InChIKeyGOCLTOHXYCETDK-UHFFFAOYSA-N
XLogP1.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 61431336
1-(aminomethyl)-N,3-dimethyl-N-[methyl(propan-2-yl)sulfamoyl]cyclohexan-1-amine
CID 62009417
N-[1-(aminomethyl)-3-methylcyclohexyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 104709315
N,N,3-trimethyl-1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61212304
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 103562711
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylpropane-1-sulfonamide
CID 62007624
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
CID 62007623
1-(aminomethyl)-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65158615
N-(1-aminopropan-2-yl)-N-methyl-1-(oxan-2-yl)methanesulfonamide
CID 119982374

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 63246691) is N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CC1CCCC(CN)(N(C)S(=O)(=O)CC2CCCO2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is GOCLTOHXYCETDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12-5-3-7-14(9-12,11-15)16(2)20(17,18)10-13-6-4-8-19-13/h12-13H,3-11,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).