3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide

C14H22N2O3S — CID 106093864

IUPAC3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NC2CCOC(C)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-11-8-13(6-7-19-11)16-20(17,18)14-5-3-4-12(9-14)10-15-2/h3-5,9,11,13,15-16H,6-8,10H2,1-2H3
InChIKeyRAHPGCNZWSDDOD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.25
Rot. Bonds5

About 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide

3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide (PubChem CID 106093864) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
PubChem CID106093864
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NC2CCOC(C)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-11-8-13(6-7-19-11)16-20(17,18)14-5-3-4-12(9-14)10-15-2/h3-5,9,11,13,15-16H,6-8,10H2,1-2H3
InChIKeyRAHPGCNZWSDDOD-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093867
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
N-[3-[[2-[[(2R,4S)-2-methyloxan-4-yl]sulfamoyl]-4-sulfamoylanilino]methyl]phenyl]acetamide
CID 167824701
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106093881
N-(2-methyloxan-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 75439670
4-(aminomethyl)-2-bromo-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093875
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093981
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
3-(methylaminomethyl)benzenesulfonic acid
CID 19897302

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide (CID 106093864) is 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NC2CCOC(C)C2)c1.
What is the InChIKey of 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide?
The InChIKey is RAHPGCNZWSDDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-8-13(6-7-19-11)16-20(17,18)14-5-3-4-12(9-14)10-15-2/h3-5,9,11,13,15-16H,6-8,10H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide?
3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 106093864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).