N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide

C13H20N2O4S — CID 125443221

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide
SMILESNCc1ccc(CNS(=O)(=O)C[C@H]2COCCO2)cc1
InChIInChI=1S/C13H20N2O4S/c14-7-11-1-3-12(4-2-11)8-15-20(16,17)10-13-9-18-5-6-19-13/h1-4,13,15H,5-10,14H2/t13-/m1/s1
InChIKeyHNVZZIZBNJPFGV-CYBMUJFWSA-N
MW300.38 g/mol
LogP-0.02
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide

N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide (PubChem CID 125443221) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide
PubChem CID125443221
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide
SMILESNCc1ccc(CNS(=O)(=O)C[C@H]2COCCO2)cc1
InChIInChI=1S/C13H20N2O4S/c14-7-11-1-3-12(4-2-11)8-15-20(16,17)10-13-9-18-5-6-19-13/h1-4,13,15H,5-10,14H2/t13-/m1/s1
InChIKeyHNVZZIZBNJPFGV-CYBMUJFWSA-N
XLogP-0.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
N-benzyl-2-morpholin-4-ylethanesulfonamide
CID 76324865
N-[(4-methylphenyl)methyl]-2-morpholin-4-ylethanesulfonamide
CID 76335730
N-benzyloxane-4-sulfonamide
CID 53484275
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxyethanesulfonamide
CID 55188950
4-[(2-Ethoxyethylsulfonylamino)methyl]-3-fluorobenzenecarbothioamide
CID 63359079
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]oxane-4-sulfonamide
CID 63359409
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 63359491
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63359493
3-Fluoro-4-[(oxan-4-ylsulfonylamino)methyl]benzenecarbothioamide
CID 63359690
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxyethanesulfonamide
CID 63359716
3-Fluoro-4-[(3-methoxypropylsulfonylamino)methyl]benzenecarbothioamide
CID 63359734

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide (CID 125443221) is N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide is NCc1ccc(CNS(=O)(=O)C[C@H]2COCCO2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide?
The InChIKey is HNVZZIZBNJPFGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O4S/c14-7-11-1-3-12(4-2-11)8-15-20(16,17)10-13-9-18-5-6-19-13/h1-4,13,15H,5-10,14H2/t13-/m1/s1.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide?
N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-1-[(2R)-1,4-dioxan-2-yl]methanesulfonamide is sourced from PubChem (CID 125443221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).