5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide

C14H26N2O2S3 — CID 106092326

IUPAC5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCC(CC)(CC)SC)s1
InChIInChI=1S/C14H26N2O2S3/c1-5-14(6-2,19-4)11-16-21(17,18)13-9-8-12(20-13)10-15-7-3/h8-9,15-16H,5-7,10-11H2,1-4H3
InChIKeyNPOUJLFGWMDFID-UHFFFAOYSA-N
MW350.58 g/mol
LogP3.06
Rot. Bonds10

About 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide

5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide (PubChem CID 106092326) has the molecular formula C14H26N2O2S3 and a molecular weight of 350.58 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
PubChem CID106092326
Molecular FormulaC14H26N2O2S3
Molecular Weight350.58 g/mol
Exact Mass350.12
IUPAC Name5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCC(CC)(CC)SC)s1
InChIInChI=1S/C14H26N2O2S3/c1-5-14(6-2,19-4)11-16-21(17,18)13-9-8-12(20-13)10-15-7-3/h8-9,15-16H,5-7,10-11H2,1-4H3
InChIKeyNPOUJLFGWMDFID-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106080923
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide
CID 106092360
5-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]thiophene-2-carbonitrile
CID 103729248

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide (CID 106092326) is 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCC(CC)(CC)SC)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide?
The InChIKey is NPOUJLFGWMDFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S3/c1-5-14(6-2,19-4)11-16-21(17,18)13-9-8-12(20-13)10-15-7-3/h8-9,15-16H,5-7,10-11H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide has a molecular weight of 350.58 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106092326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).