N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide

C14H26N2O2S2 — CID 79470903

IUPACN-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C)c(CNC)s1
InChIInChI=1S/C14H26N2O2S2/c1-6-11(3)10-16(7-2)20(17,18)14-8-12(4)13(19-14)9-15-5/h8,11,15H,6-7,9-10H2,1-5H3
InChIKeyZHARFVIOFJGFGA-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.83
Rot. Bonds8

About N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide

N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide (PubChem CID 79470903) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
PubChem CID79470903
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC NameN-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C)c(CNC)s1
InChIInChI=1S/C14H26N2O2S2/c1-6-11(3)10-16(7-2)20(17,18)14-8-12(4)13(19-14)9-15-5/h8,11,15H,6-7,9-10H2,1-5H3
InChIKeyZHARFVIOFJGFGA-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide (CID 79470903) is N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cc(C)c(CNC)s1.
What is the InChIKey of N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide?
The InChIKey is ZHARFVIOFJGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-6-11(3)10-16(7-2)20(17,18)14-8-12(4)13(19-14)9-15-5/h8,11,15H,6-7,9-10H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide?
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79470903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).