N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C12H22N2O3S2 — CID 106092805

IUPACN-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCCCCCOC)c1
InChIInChI=1S/C12H22N2O3S2/c1-13-9-11-8-12(18-10-11)19(15,16)14-6-4-3-5-7-17-2/h8,10,13-14H,3-7,9H2,1-2H3
InChIKeyIFCNNMLTDLATIV-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.56
Rot. Bonds10

About N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106092805) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106092805
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC NameN-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCCCCCOC)c1
InChIInChI=1S/C12H22N2O3S2/c1-13-9-11-8-12(18-10-11)19(15,16)14-6-4-3-5-7-17-2/h8,10,13-14H,3-7,9H2,1-2H3
InChIKeyIFCNNMLTDLATIV-UHFFFAOYSA-N
XLogP1.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.56
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

N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106092695
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336
2-bromo-N-(4-methoxybutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106054095
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
4-amino-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61301299
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
CID 106092711
4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092955
N-(2-butoxyethyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017589
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106092805) is N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NCCCCCOC)c1.
What is the InChIKey of N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is IFCNNMLTDLATIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-13-9-11-8-12(18-10-11)19(15,16)14-6-4-3-5-7-17-2/h8,10,13-14H,3-7,9H2,1-2H3.
What are the key properties of N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 1.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106092805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).