N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide

C9H16N2O2S2 — CID 63733262

IUPACN-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
SMILESCCC(N)CNS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C9H16N2O2S2/c1-3-8(10)6-11-15(12,13)9-5-4-7(2)14-9/h4-5,8,11H,3,6,10H2,1-2H3
InChIKeyBMUKNPGCNISEMR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.07
Rot. Bonds5

About N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide

N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide (PubChem CID 63733262) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
PubChem CID63733262
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
SMILESCCC(N)CNS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C9H16N2O2S2/c1-3-8(10)6-11-15(12,13)9-5-4-7(2)14-9/h4-5,8,11H,3,6,10H2,1-2H3
InChIKeyBMUKNPGCNISEMR-UHFFFAOYSA-N
XLogP1.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238647
N-[(2R)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238648
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
3-methyl-2-[[(5-methylthiophen-2-yl)sulfonylamino]methyl]butanoic acid
CID 65221421
N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 62500636
N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide
CID 90500280
5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 55735458

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide (CID 63733262) is N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide is CCC(N)CNS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is BMUKNPGCNISEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-3-8(10)6-11-15(12,13)9-5-4-7(2)14-9/h4-5,8,11H,3,6,10H2,1-2H3.
What are the key properties of N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide?
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 63733262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).