5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide

C12H22N2O2S3 — CID 112667235

IUPAC5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)N(C)CCSC)cc1C
InChIInChI=1S/C12H22N2O2S3/c1-5-13-9-11-10(2)8-12(18-11)19(15,16)14(3)6-7-17-4/h8,13H,5-7,9H2,1-4H3
InChIKeyYQUULNUPTLEYKA-UHFFFAOYSA-N
MW322.52 g/mol
LogP2.15
Rot. Bonds8

About 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide

5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide (PubChem CID 112667235) has the molecular formula C12H22N2O2S3 and a molecular weight of 322.52 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide
PubChem CID112667235
Molecular FormulaC12H22N2O2S3
Molecular Weight322.52 g/mol
Exact Mass322.08
IUPAC Name5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)N(C)CCSC)cc1C
InChIInChI=1S/C12H22N2O2S3/c1-5-13-9-11-10(2)8-12(18-11)19(15,16)14(3)6-7-17-4/h8,13H,5-7,9H2,1-4H3
InChIKeyYQUULNUPTLEYKA-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 115988589
5-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-2-sulfonamide
CID 106093639
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 115988696
N-methyl-N-(2-methylsulfanylethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 112667299
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 115988305
4-chloro-3-(ethylaminomethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988345
5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112657989
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 112667287
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide (CID 112667235) is 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)N(C)CCSC)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide?
The InChIKey is YQUULNUPTLEYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S3/c1-5-13-9-11-10(2)8-12(18-11)19(15,16)14(3)6-7-17-4/h8,13H,5-7,9H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide has a molecular weight of 322.52 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 112667235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).