N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

C10H17NO3S2 — CID 102749765

IUPACN-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCCCCNS(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C10H17NO3S2/c1-3-4-5-11-16(13,14)10-8(2)7-15-9(10)6-12/h7,11-12H,3-6H2,1-2H3
InChIKeyFAPBABCXIRQCAX-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.63
Rot. Bonds6

About N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102749765) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
PubChem CID102749765
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC NameN-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCCCCNS(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C10H17NO3S2/c1-3-4-5-11-16(13,14)10-8(2)7-15-9(10)6-12/h7,11-12H,3-6H2,1-2H3
InChIKeyFAPBABCXIRQCAX-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 114135631
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 102750136
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 102750058
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653
2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
CID 106092711
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
CID 102750244
2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085306

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (CID 102749765) is N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is CCCCNS(=O)(=O)c1c(C)csc1CO.
What is the InChIKey of N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is FAPBABCXIRQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-3-4-5-11-16(13,14)10-8(2)7-15-9(10)6-12/h7,11-12H,3-6H2,1-2H3.
What are the key properties of N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 263.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102749765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).