2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide

C12H22N2O3S2 — CID 106092711

IUPAC2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
SMILESCOCCCCCNS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C12H22N2O3S2/c1-10-9-18-11(8-13)12(10)19(15,16)14-6-4-3-5-7-17-2/h9,14H,3-8,13H2,1-2H3
InChIKeyWUOLVWZNTJXBQF-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.61
Rot. Bonds9

About 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106092711) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
PubChem CID106092711
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC Name2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
SMILESCOCCCCCNS(=O)(=O)c1c(C)csc1CN
InChIInChI=1S/C12H22N2O3S2/c1-10-9-18-11(8-13)12(10)19(15,16)14-6-4-3-5-7-17-2/h9,14H,3-8,13H2,1-2H3
InChIKeyWUOLVWZNTJXBQF-UHFFFAOYSA-N
XLogP1.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.61
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

2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086
2-amino-N-(4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103171397
2-(aminomethyl)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-3-sulfonamide
CID 106055239
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082660
2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide
CID 106378238
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide (CID 106092711) is 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide is COCCCCCNS(=O)(=O)c1c(C)csc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is WUOLVWZNTJXBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-10-9-18-11(8-13)12(10)19(15,16)14-6-4-3-5-7-17-2/h9,14H,3-8,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106092711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).