5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide

C12H22N2O2S2 — CID 114135259

IUPAC5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(C)c(CN)s1
InChIInChI=1S/C12H22N2O2S2/c1-3-4-5-6-7-14-18(15,16)12-8-10(2)11(9-13)17-12/h8,14H,3-7,9,13H2,1-2H3
InChIKeyDZJAZKHTDBNLRP-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.37
Rot. Bonds8

About 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide (PubChem CID 114135259) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
PubChem CID114135259
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(C)c(CN)s1
InChIInChI=1S/C12H22N2O2S2/c1-3-4-5-6-7-14-18(15,16)12-8-10(2)11(9-13)17-12/h8,14H,3-7,9,13H2,1-2H3
InChIKeyDZJAZKHTDBNLRP-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.37
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

5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
5-(ethylaminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-2-sulfonamide
CID 106092675
5-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-2-sulfonamide
CID 106093639
5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
CID 106067326
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094400
5-(ethylaminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106053936
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide (CID 114135259) is 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide is CCCCCCNS(=O)(=O)c1cc(C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide?
The InChIKey is DZJAZKHTDBNLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-3-4-5-6-7-14-18(15,16)12-8-10(2)11(9-13)17-12/h8,14H,3-7,9,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114135259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).