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

C13H20N2O3S — CID 55174696

IUPACN-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H20N2O3S/c14-8-11-4-1-2-5-12(11)9-15-19(16,17)10-13-6-3-7-18-13/h1-2,4-5,13,15H,3,6-10,14H2
InChIKeyNDMWTOXAAYJMHX-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.74
Rot. Bonds6

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

N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55174696) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55174696
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H20N2O3S/c14-8-11-4-1-2-5-12(11)9-15-19(16,17)10-13-6-3-7-18-13/h1-2,4-5,13,15H,3,6-10,14H2
InChIKeyNDMWTOXAAYJMHX-UHFFFAOYSA-N
XLogP0.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide (CID 55174696) is N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide is NCc1ccccc1CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is NDMWTOXAAYJMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-8-11-4-1-2-5-12(11)9-15-19(16,17)10-13-6-3-7-18-13/h1-2,4-5,13,15H,3,6-10,14H2.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55174696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).