4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide

C14H23N3O2S2 — CID 82902157

IUPAC4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC2(C)CCCS2)c1
InChIInChI=1S/C14H23N3O2S2/c1-3-17-21(18,19)11-5-6-12(15)13(9-11)16-10-14(2)7-4-8-20-14/h5-6,9,16-17H,3-4,7-8,10,15H2,1-2H3
InChIKeyQBAALUVQLKDDHX-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.26
Rot. Bonds6

About 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide

4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide (PubChem CID 82902157) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide
PubChem CID82902157
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC2(C)CCCS2)c1
InChIInChI=1S/C14H23N3O2S2/c1-3-17-21(18,19)11-5-6-12(15)13(9-11)16-10-14(2)7-4-8-20-14/h5-6,9,16-17H,3-4,7-8,10,15H2,1-2H3
InChIKeyQBAALUVQLKDDHX-UHFFFAOYSA-N
XLogP2.26
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]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-amino-3-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 80737585
methyl 4-amino-3-[(2-methylthiolan-2-yl)methylamino]benzoate
CID 82795660
N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 80743899
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743494
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-3-[(3-bromothiophen-2-yl)methylamino]-N-ethylbenzenesulfonamide
CID 82902613
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide (CID 82902157) is 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NCC2(C)CCCS2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide?
The InChIKey is QBAALUVQLKDDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-17-21(18,19)11-5-6-12(15)13(9-11)16-10-14(2)7-4-8-20-14/h5-6,9,16-17H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide?
4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide has a molecular weight of 329.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(2-methylthiolan-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 82902157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).