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

C11H19NO3S3 — CID 112666962

IUPAC5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C11H19NO3S3/c1-4-9(8-16-3)12(2)18(14,15)11-6-5-10(7-13)17-11/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyPAGZXJKDRNZRFM-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.00
Rot. Bonds7

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

5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 112666962) 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-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID112666962
Molecular FormulaC11H19NO3S3
Molecular Weight309.48 g/mol
Exact Mass309.05
IUPAC Name5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1ccc(CO)s1
InChIInChI=1S/C11H19NO3S3/c1-4-9(8-16-3)12(2)18(14,15)11-6-5-10(7-13)17-11/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyPAGZXJKDRNZRFM-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-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 115988529
5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551413
5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 112666972
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551441
N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068796
5-(hydroxymethyl)-2-methoxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115988140
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid
CID 62637176
1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide
CID 112666974
1-[3-(hydroxymethyl)phenyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 115988136
4-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115986116
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
2-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]benzoic acid
CID 115985512

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (CID 112666962) is 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1ccc(CO)s1.
What is the InChIKey of 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is PAGZXJKDRNZRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S3/c1-4-9(8-16-3)12(2)18(14,15)11-6-5-10(7-13)17-11/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-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-2-sulfonamide is sourced from PubChem (CID 112666962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).