5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide

C11H19NO3S3 — CID 112666972

IUPAC5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C11H19NO3S3/c1-4-9(7-16-3)12(2)18(14,15)11-5-10(6-13)17-8-11/h5,8-9,13H,4,6-7H2,1-3H3
InChIKeyKCDNTKWFXCBIQZ-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.00
Rot. Bonds7

About 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide

5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide (PubChem CID 112666972) has the molecular formula C11H19NO3S3 and a molecular weight of 309.48 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
PubChem CID112666972
Molecular FormulaC11H19NO3S3
Molecular Weight309.48 g/mol
Exact Mass309.05
IUPAC Name5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C11H19NO3S3/c1-4-9(7-16-3)12(2)18(14,15)11-5-10(6-13)17-8-11/h5,8-9,13H,4,6-7H2,1-3H3
InChIKeyKCDNTKWFXCBIQZ-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112666962
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103192204
2-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]benzoic acid
CID 115985512
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
CID 112664023
4-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115986116
5-(hydroxymethyl)-2-methoxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115988140
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
3-bromo-4-methoxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115897747
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551441
4-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 115985768
1-[3-(hydroxymethyl)phenyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 115988136
5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551413

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide (CID 112666972) is 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1csc(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide?
The InChIKey is KCDNTKWFXCBIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S3/c1-4-9(7-16-3)12(2)18(14,15)11-5-10(6-13)17-8-11/h5,8-9,13H,4,6-7H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide?
5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide has a molecular weight of 309.48 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 112666972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).