N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 63705715

IUPACN-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)CC2CCCOC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-16-10-13-5-7-15(8-6-13)21(18,19)17(2)11-14-4-3-9-20-12-14/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyJJOXOSWZJRVBCF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.45
Rot. Bonds6

About N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide

N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 63705715) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID63705715
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)CC2CCCOC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-16-10-13-5-7-15(8-6-13)21(18,19)17(2)11-14-4-3-9-20-12-14/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyJJOXOSWZJRVBCF-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 154739901
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
N-methyl-4-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63860031
3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63725570
N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63708062
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63707699
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
4-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481628
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606386

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 63705715) is N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)CC2CCCOC2)cc1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is JJOXOSWZJRVBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-16-10-13-5-7-15(8-6-13)21(18,19)17(2)11-14-4-3-9-20-12-14/h5-8,14,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide?
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63705715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).