N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C14H26N2O2S2 — CID 107818786

IUPACN-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(CNC)cs1
InChIInChI=1S/C14H26N2O2S2/c1-4-6-7-12(5-2)10-16-20(17,18)14-8-13(9-15-3)11-19-14/h8,11-12,15-16H,4-7,9-10H2,1-3H3
InChIKeyXUSDQDCQNZVFEE-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.96
Rot. Bonds10

About N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 107818786) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID107818786
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC NameN-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(CNC)cs1
InChIInChI=1S/C14H26N2O2S2/c1-4-6-7-12(5-2)10-16-20(17,18)14-8-13(9-15-3)11-19-14/h8,11-12,15-16H,4-7,9-10H2,1-3H3
InChIKeyXUSDQDCQNZVFEE-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 107818779
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 107818708
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
N-(2-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106077840
4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410707
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
4-(methylaminomethyl)-N-(1-propylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106001510
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 107818786) is N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1cc(CNC)cs1.
What is the InChIKey of N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is XUSDQDCQNZVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-4-6-7-12(5-2)10-16-20(17,18)14-8-13(9-15-3)11-19-14/h8,11-12,15-16H,4-7,9-10H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107818786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).