3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide

C14H23N3O3S — CID 61431527

IUPAC3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
SMILESCN(CC1CCCO1)c1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-6-7-14(13(15)9-12)17(3)10-11-5-4-8-20-11/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyWTJWPFGWQLHDBB-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.13
Rot. Bonds5

About 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide

3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide (PubChem CID 61431527) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
PubChem CID61431527
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
SMILESCN(CC1CCCO1)c1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-6-7-14(13(15)9-12)17(3)10-11-5-4-8-20-11/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyWTJWPFGWQLHDBB-UHFFFAOYSA-N
XLogP1.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]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

4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
[2-[methyl(oxolan-2-ylmethyl)amino]-5-nitrophenyl]methanol
CID 61431805
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
4-fluoro-5-iodo-2-N-methyl-2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 66100285
3-N-methyl-2-nitro-3-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 80796745
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]propanamide
CID 129419023

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide (CID 61431527) is 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide is CN(CC1CCCO1)c1ccc(S(=O)(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide?
The InChIKey is WTJWPFGWQLHDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-6-7-14(13(15)9-12)17(3)10-11-5-4-8-20-11/h6-7,9,11H,4-5,8,10,15H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide?
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 61431527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).