3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide

C12H18N2O2S2 — CID 43296364

IUPAC3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)C1CCSC1
InChIInChI=1S/C12H18N2O2S2/c1-9-11(13)4-3-5-12(9)18(15,16)14(2)10-6-7-17-8-10/h3-5,10H,6-8,13H2,1-2H3
InChIKeyQKZMNUOFDGYSQJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide

3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 43296364) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID43296364
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)C1CCSC1
InChIInChI=1S/C12H18N2O2S2/c1-9-11(13)4-3-5-12(9)18(15,16)14(2)10-6-7-17-8-10/h3-5,10H,6-8,13H2,1-2H3
InChIKeyQKZMNUOFDGYSQJ-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N,2-dimethyl-N-(thiolan-3-yl)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

3-amino-5-bromo-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 114378838
3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547629
3-amino-N-methyl-N-(thiolan-3-yl)pyridine-2-sulfonamide
CID 103304503
3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 60808304
2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)sulfonylaniline
CID 66382764
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
4-(aminomethyl)-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 79187466
N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
CID 43296275
3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108810
N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide
CID 43296997
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide (CID 43296364) is 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)N(C)C1CCSC1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is QKZMNUOFDGYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-9-11(13)4-3-5-12(9)18(15,16)14(2)10-6-7-17-8-10/h3-5,10H,6-8,13H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide?
3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 43296364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).