5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide

C15H24N2O2S2 — CID 106084377

IUPAC5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
SMILESCCNCc1ccc(C)c(S(=O)(=O)NC2CCSCC2)c1
InChIInChI=1S/C15H24N2O2S2/c1-3-16-11-13-5-4-12(2)15(10-13)21(18,19)17-14-6-8-20-9-7-14/h4-5,10,14,16-17H,3,6-9,11H2,1-2H3
InChIKeyXCKCTRBUNULXGY-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.28
Rot. Bonds6

About 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide

5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide (PubChem CID 106084377) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
PubChem CID106084377
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
SMILESCCNCc1ccc(C)c(S(=O)(=O)NC2CCSCC2)c1
InChIInChI=1S/C15H24N2O2S2/c1-3-16-11-13-5-4-12(2)15(10-13)21(18,19)17-14-6-8-20-9-7-14/h4-5,10,14,16-17H,3,6-9,11H2,1-2H3
InChIKeyXCKCTRBUNULXGY-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(ethylaminomethyl)-2-methyl-N-(thian-4-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

4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377
2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084383
3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084483
2-bromo-5-(ethylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084419
5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081559
N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide
CID 122191046
2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084371
2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331
5-(ethylaminomethyl)-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018838
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide (CID 106084377) is 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide is CCNCc1ccc(C)c(S(=O)(=O)NC2CCSCC2)c1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide?
The InChIKey is XCKCTRBUNULXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-16-11-13-5-4-12(2)15(10-13)21(18,19)17-14-6-8-20-9-7-14/h4-5,10,14,16-17H,3,6-9,11H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide?
5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide is sourced from PubChem (CID 106084377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).