2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide

C15H24N2O3S — CID 82748707

IUPAC2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCc1ccc(CNC)cc1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C15H24N2O3S/c1-4-13-6-5-12(10-16-2)9-15(13)21(18,19)17(3)14-7-8-20-11-14/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3
InChIKeyTUCWCGOSXLELQB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.38
Rot. Bonds6

About 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide

2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82748707) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82748707
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCc1ccc(CNC)cc1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C15H24N2O3S/c1-4-13-6-5-12(10-16-2)9-15(13)21(18,19)17(3)14-7-8-20-11-14/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3
InChIKeyTUCWCGOSXLELQB-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82746071
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyridine-2-sulfonamide
CID 82745069
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 102920403
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746069
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744473
5-(chloromethyl)-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744947
N-methyl-N-(oxolan-3-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82729653
N,5-dimethyl-3-(methylaminomethyl)-N-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 82745524
3-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82748496
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836
1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82749172

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide (CID 82748707) is 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide is CCc1ccc(CNC)cc1S(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is TUCWCGOSXLELQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-13-6-5-12(10-16-2)9-15(13)21(18,19)17(3)14-7-8-20-11-14/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide?
2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82748707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).