5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide

C11H20N2O2S3 — CID 113494086

IUPAC5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H20N2O2S3/c1-9(16-2)6-8-13-18(14,15)11-4-3-10(17-11)5-7-12/h3-4,9,13H,5-8,12H2,1-2H3
InChIKeyNMWRICIZFWWBFC-UHFFFAOYSA-N
MW308.49 g/mol
LogP1.67
Rot. Bonds8

About 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide (PubChem CID 113494086) has the molecular formula C11H20N2O2S3 and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
PubChem CID113494086
Molecular FormulaC11H20N2O2S3
Molecular Weight308.49 g/mol
Exact Mass308.07
IUPAC Name5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H20N2O2S3/c1-9(16-2)6-8-13-18(14,15)11-4-3-10(17-11)5-7-12/h3-4,9,13H,5-8,12H2,1-2H3
InChIKeyNMWRICIZFWWBFC-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 114142216
4-(3-aminopropyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082197
5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 61477775
5-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106419898
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
4-(3-aminopropoxy)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082134
2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 113494155
5-(2-aminoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 43520972
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
3-amino-2,4-difluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 107343857
5-[2-(methylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064914
N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
CID 120583485

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide (CID 113494086) is 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide is CSC(C)CCNS(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The InChIKey is NMWRICIZFWWBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S3/c1-9(16-2)6-8-13-18(14,15)11-4-3-10(17-11)5-7-12/h3-4,9,13H,5-8,12H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide has a molecular weight of 308.49 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 113494086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).