3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H16N2O2S2 — CID 43527306

IUPAC3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)Cc1cccs1
InChIInChI=1S/C13H16N2O2S2/c1-10-12(14)6-3-7-13(10)19(16,17)15(2)9-11-5-4-8-18-11/h3-8H,9,14H2,1-2H3
InChIKeyNCDZIRGZIRNQHP-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.46
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 43527306) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID43527306
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)Cc1cccs1
InChIInChI=1S/C13H16N2O2S2/c1-10-12(14)6-3-7-13(10)19(16,17)15(2)9-11-5-4-8-18-11/h3-8H,9,14H2,1-2H3
InChIKeyNCDZIRGZIRNQHP-UHFFFAOYSA-N
XLogP2.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071
2-methyl-3-(thiophen-2-ylmethylsulfonyl)aniline
CID 81190653
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
5-amino-2-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61111716
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47148979
3-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596615
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
1-N-methyl-3-methylsulfonyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 82003034
2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43527299

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 43527306) is 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)N(C)Cc1cccs1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is NCDZIRGZIRNQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-12(14)6-3-7-13(10)19(16,17)15(2)9-11-5-4-8-18-11/h3-8H,9,14H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.46, 4 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-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43527306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).