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

C11H20N2O2S3 — CID 114142216

IUPAC5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCC(C)SC)s1
InChIInChI=1S/C11H20N2O2S3/c1-9(16-3)6-7-13-18(14,15)11-5-4-10(17-11)8-12-2/h4-5,9,12-13H,6-8H2,1-3H3
InChIKeyHYFYJIISKJOMEL-UHFFFAOYSA-N
MW308.49 g/mol
LogP1.89
Rot. Bonds8

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

5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide (PubChem CID 114142216) has the molecular formula C11H20N2O2S3 and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
PubChem CID114142216
Molecular FormulaC11H20N2O2S3
Molecular Weight308.49 g/mol
Exact Mass308.07
IUPAC Name5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCC(C)SC)s1
InChIInChI=1S/C11H20N2O2S3/c1-9(16-3)6-7-13-18(14,15)11-5-4-10(17-11)8-12-2/h4-5,9,12-13H,6-8H2,1-3H3
InChIKeyHYFYJIISKJOMEL-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 113494086
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 106083800
3-chloro-4-(methylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082248
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680
N-(2-cyclopentyloxyethyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106064530
5-(methylaminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 106077162
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
5-[2-(methylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064914
5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
CID 107818588
4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106082258

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide (CID 114142216) is 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCC(C)SC)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
The InChIKey is HYFYJIISKJOMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S3/c1-9(16-3)6-7-13-18(14,15)11-5-4-10(17-11)8-12-2/h4-5,9,12-13H,6-8H2,1-3H3.
What are the key properties of 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide has a molecular weight of 308.49 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114142216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).