N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide

C14H22N2O3S — CID 62047698

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide
SMILESCN(Cc1ccccc1CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-16(11-13-5-3-2-4-12(13)10-15)20(17,18)14-6-8-19-9-7-14/h2-5,14H,6-11,15H2,1H3
InChIKeyIIZMACOOELEVQW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.09
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide (PubChem CID 62047698) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide
PubChem CID62047698
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide
SMILESCN(Cc1ccccc1CN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-16(11-13-5-3-2-4-12(13)10-15)20(17,18)14-6-8-19-9-7-14/h2-5,14H,6-11,15H2,1H3
InChIKeyIIZMACOOELEVQW-UHFFFAOYSA-N
XLogP1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide (CID 62047698) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide is CN(Cc1ccccc1CN)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide?
The InChIKey is IIZMACOOELEVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(11-13-5-3-2-4-12(13)10-15)20(17,18)14-6-8-19-9-7-14/h2-5,14H,6-11,15H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 62047698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).