5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide

C15H24N2O3S — CID 106016485

IUPAC5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CCCOC2)cc1CN
InChIInChI=1S/C15H24N2O3S/c1-11-6-12(2)15(7-14(11)8-16)21(18,19)17-9-13-4-3-5-20-10-13/h6-7,13,17H,3-5,8-10,16H2,1-2H3
InChIKeyIOMOTONNOPNHES-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.47
Rot. Bonds5

About 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide

5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 106016485) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID106016485
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2CCCOC2)cc1CN
InChIInChI=1S/C15H24N2O3S/c1-11-6-12(2)15(7-14(11)8-16)21(18,19)17-9-13-4-3-5-20-10-13/h6-7,13,17H,3-5,8-10,16H2,1-2H3
InChIKeyIOMOTONNOPNHES-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide 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

2,5-dibromo-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 80708344
5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79962057
5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804859
3-amino-5-chloro-2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 103050953
5-amino-2-nitro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 62159364
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide
CID 106067743
4-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 60920449
2-fluoro-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016517
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 106016485) is 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2CCCOC2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is IOMOTONNOPNHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-6-12(2)15(7-14(11)8-16)21(18,19)17-9-13-4-3-5-20-10-13/h6-7,13,17H,3-5,8-10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106016485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).