5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide

C9H12F3NO3S3 — CID 106433635

IUPAC5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
SMILESCc1sc(CO)cc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H12F3NO3S3/c1-6-8(4-7(5-14)18-6)19(15,16)13-2-3-17-9(10,11)12/h4,13-14H,2-3,5H2,1H3
InChIKeyDXMBKBFIUUVAJI-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.08
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide

5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide (PubChem CID 106433635) has the molecular formula C9H12F3NO3S3 and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
PubChem CID106433635
Molecular FormulaC9H12F3NO3S3
Molecular Weight335.39 g/mol
Exact Mass334.99
IUPAC Name5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
SMILESCc1sc(CO)cc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H12F3NO3S3/c1-6-8(4-7(5-14)18-6)19(15,16)13-2-3-17-9(10,11)12/h4,13-14H,2-3,5H2,1H3
InChIKeyDXMBKBFIUUVAJI-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide
CID 106014191
4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433633
5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106433688
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000848
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106425735
5-(aminomethyl)-3-bromo-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433770
5-(aminomethyl)-2-bromo-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433714
5-(ethylaminomethyl)-2-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093781
methyl 2-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]benzoate
CID 103833480

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide (CID 106433635) is 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide is Cc1sc(CO)cc1S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide?
The InChIKey is DXMBKBFIUUVAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3S3/c1-6-8(4-7(5-14)18-6)19(15,16)13-2-3-17-9(10,11)12/h4,13-14H,2-3,5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide?
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106433635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).