4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide

C13H24N2O3S2 — CID 106074140

IUPAC4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(C)csc1CNC
InChIInChI=1S/C13H24N2O3S2/c1-4-7-18-8-5-6-15-20(16,17)13-11(2)10-19-12(13)9-14-3/h10,14-15H,4-9H2,1-3H3
InChIKeyCOUJZJPHCDSEDA-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.87
Rot. Bonds10

About 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide (PubChem CID 106074140) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
PubChem CID106074140
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC Name4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1c(C)csc1CNC
InChIInChI=1S/C13H24N2O3S2/c1-4-7-18-8-5-6-15-20(16,17)13-11(2)10-19-12(13)9-14-3/h10,14-15H,4-9H2,1-3H3
InChIKeyCOUJZJPHCDSEDA-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.87
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-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
6-amino-2,3-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949733
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085306
2-(ethylaminomethyl)-4-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093653
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 114138798
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide (CID 106074140) is 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide is CCCOCCCNS(=O)(=O)c1c(C)csc1CNC.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide?
The InChIKey is COUJZJPHCDSEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-4-7-18-8-5-6-15-20(16,17)13-11(2)10-19-12(13)9-14-3/h10,14-15H,4-9H2,1-3H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106074140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).