5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide

C11H20N2O2S2 — CID 114138862

IUPAC5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cc(C)c(CN)s1
InChIInChI=1S/C11H20N2O2S2/c1-4-9(5-2)13-17(14,15)11-6-8(3)10(7-12)16-11/h6,9,13H,4-5,7,12H2,1-3H3
InChIKeyDHGYZOXLRUQAEH-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.98
Rot. Bonds6

About 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide (PubChem CID 114138862) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
PubChem CID114138862
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cc(C)c(CN)s1
InChIInChI=1S/C11H20N2O2S2/c1-4-9(5-2)13-17(14,15)11-6-8(3)10(7-12)16-11/h6,9,13H,4-5,7,12H2,1-3H3
InChIKeyDHGYZOXLRUQAEH-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 114141055
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
5-(aminomethyl)-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 106050950
5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
CID 114135259
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
5-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-4-methylthiophene-2-sulfonamide
CID 106063436

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide (CID 114138862) is 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide is CCC(CC)NS(=O)(=O)c1cc(C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide?
The InChIKey is DHGYZOXLRUQAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-9(5-2)13-17(14,15)11-6-8(3)10(7-12)16-11/h6,9,13H,4-5,7,12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 114138862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).