2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide

C14H26N2O2S2 — CID 107818682

IUPAC2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C14H26N2O2S2/c1-12(2)7-5-3-4-6-9-16-20(17,18)14-8-10-19-13(14)11-15/h8,10,12,16H,3-7,9,11,15H2,1-2H3
InChIKeyGVGJQNUFTFLRJA-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.09
Rot. Bonds10

About 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide

2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide (PubChem CID 107818682) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
PubChem CID107818682
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC Name2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C14H26N2O2S2/c1-12(2)7-5-3-4-6-9-16-20(17,18)14-8-10-19-13(14)11-15/h8,10,12,16H,3-7,9,11,15H2,1-2H3
InChIKeyGVGJQNUFTFLRJA-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.09
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

2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106059096
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618
5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327519
3-amino-2-methyl-N-(7-methyloctyl)benzenesulfonamide
CID 107814631
2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
CID 113287642
2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106002506

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide (CID 107818682) is 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide is CC(C)CCCCCCNS(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide?
The InChIKey is GVGJQNUFTFLRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-12(2)7-5-3-4-6-9-16-20(17,18)14-8-10-19-13(14)11-15/h8,10,12,16H,3-7,9,11,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107818682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).