N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide

C11H20N2O2S3 — CID 112667445

IUPACN-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C11H20N2O2S3/c1-9(8-16-4)13(3)18(14,15)11-5-6-17-10(11)7-12-2/h5-6,9,12H,7-8H2,1-4H3
InChIKeyMJWZBHZDGSGLBK-UHFFFAOYSA-N
MW308.49 g/mol
LogP1.84
Rot. Bonds7

About N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide

N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide (PubChem CID 112667445) has the molecular formula C11H20N2O2S3 and a molecular weight of 308.49 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
PubChem CID112667445
Molecular FormulaC11H20N2O2S3
Molecular Weight308.49 g/mol
Exact Mass308.07
IUPAC NameN-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C11H20N2O2S3/c1-9(8-16-4)13(3)18(14,15)11-5-6-17-10(11)7-12-2/h5-6,9,12H,7-8H2,1-4H3
InChIKeyMJWZBHZDGSGLBK-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988698
2,4-difluoro-N-methyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988559
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988551
2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988643
5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 115988589
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-methyl-N-(2-methylsulfanylethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 112667299
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
5-(ethylaminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988542
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 115988696

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide (CID 112667445) is N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)N(C)C(C)CSC.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide?
The InChIKey is MJWZBHZDGSGLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S3/c1-9(8-16-4)13(3)18(14,15)11-5-6-17-10(11)7-12-2/h5-6,9,12H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide?
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide has a molecular weight of 308.49 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 112667445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).