N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide

C13H20N2O4S2 — CID 62950640

IUPACN-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H20N2O4S2/c14-9-11-3-1-2-4-12(11)10-15-21(18,19)13-5-7-20(16,17)8-6-13/h1-4,13,15H,5-10,14H2
InChIKeyWZGGFHIZSNBBRX-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.14
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide (PubChem CID 62950640) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
PubChem CID62950640
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
SMILESNCc1ccccc1CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H20N2O4S2/c14-9-11-3-1-2-4-12(11)10-15-21(18,19)13-5-7-20(16,17)8-6-13/h1-4,13,15H,5-10,14H2
InChIKeyWZGGFHIZSNBBRX-UHFFFAOYSA-N
XLogP0.14
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide 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

N-[(4-aminophenyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 62085292
2-[2-(aminomethyl)phenyl]-N-(1,1-dioxothian-4-yl)acetamide
CID 81317741
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
N-[[4-(chloromethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 107234052
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 64989311
N-[(3-bromophenyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 62086018
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
1-[2-(aminomethyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
CID 43648691
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-4-sulfonamide
CID 114296825
N-(3-aminophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62086003

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide (CID 62950640) is N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide is NCc1ccccc1CNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide?
The InChIKey is WZGGFHIZSNBBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c14-9-11-3-1-2-4-12(11)10-15-21(18,19)13-5-7-20(16,17)8-6-13/h1-4,13,15H,5-10,14H2.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62950640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).