N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide

C10H17NO4S2 — CID 114132067

IUPACN-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(C)c(CO)s1
InChIInChI=1S/C10H17NO4S2/c1-3-15-5-4-11-17(13,14)10-6-8(2)9(7-12)16-10/h6,11-12H,3-5,7H2,1-2H3
InChIKeyVQYCDKGMNGUGKU-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.86
Rot. Bonds7

About N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide

N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide (PubChem CID 114132067) has the molecular formula C10H17NO4S2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
PubChem CID114132067
Molecular FormulaC10H17NO4S2
Molecular Weight279.38 g/mol
Exact Mass279.06
IUPAC NameN-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(C)c(CO)s1
InChIInChI=1S/C10H17NO4S2/c1-3-15-5-4-11-17(13,14)10-6-8(2)9(7-12)16-10/h6,11-12H,3-5,7H2,1-2H3
InChIKeyVQYCDKGMNGUGKU-UHFFFAOYSA-N
XLogP0.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.86
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)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 114134527
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 115409009
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
5-(hydroxymethyl)-4-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-sulfonamide
CID 106327348
4-methyl-5-(methylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 106064620
5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114132191
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-(hydroxymethyl)-4-methyl-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114135437
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide (CID 114132067) is N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide is CCOCCNS(=O)(=O)c1cc(C)c(CO)s1.
What is the InChIKey of N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is VQYCDKGMNGUGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S2/c1-3-15-5-4-11-17(13,14)10-6-8(2)9(7-12)16-10/h6,11-12H,3-5,7H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide?
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 279.38 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114132067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).