5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide

C13H24N2O2S3 — CID 115988589

IUPAC5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)N(C)C(C)CSC)cc1C
InChIInChI=1S/C13H24N2O2S3/c1-6-14-8-12-10(2)7-13(19-12)20(16,17)15(4)11(3)9-18-5/h7,11,14H,6,8-9H2,1-5H3
InChIKeyWDKNPFUIEFWDIW-UHFFFAOYSA-N
MW336.55 g/mol
LogP2.54
Rot. Bonds8

About 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide

5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 115988589) has the molecular formula C13H24N2O2S3 and a molecular weight of 336.55 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID115988589
Molecular FormulaC13H24N2O2S3
Molecular Weight336.55 g/mol
Exact Mass336.10
IUPAC Name5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
SMILESCCNCc1sc(S(=O)(=O)N(C)C(C)CSC)cc1C
InChIInChI=1S/C13H24N2O2S3/c1-6-14-8-12-10(2)7-13(19-12)20(16,17)15(4)11(3)9-18-5/h7,11,14H,6,8-9H2,1-5H3
InChIKeyWDKNPFUIEFWDIW-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 115988696
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide
CID 112667235
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988643
5-(ethylaminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988542
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
5-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-2-sulfonamide
CID 106093639
4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079604
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667445
5-(chloromethyl)-N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667165
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106067439

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide (CID 115988589) is 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide is CCNCc1sc(S(=O)(=O)N(C)C(C)CSC)cc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is WDKNPFUIEFWDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S3/c1-6-14-8-12-10(2)7-13(19-12)20(16,17)15(4)11(3)9-18-5/h7,11,14H,6,8-9H2,1-5H3.
What are the key properties of 5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 336.55 g/mol, XLogP of 2.54, 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-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 115988589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).