2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide

C14H26N2O2S2 — CID 83147747

IUPAC2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)C(C)(C)C)c(C)s1
InChIInChI=1S/C14H26N2O2S2/c1-10(14(3,4)5)8-16-20(17,18)13-7-12(9-15-6)19-11(13)2/h7,10,15-16H,8-9H2,1-6H3
InChIKeyZVNUNOCBQYGSPB-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide

2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide (PubChem CID 83147747) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
PubChem CID83147747
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC Name2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)C(C)(C)C)c(C)s1
InChIInChI=1S/C14H26N2O2S2/c1-10(14(3,4)5)8-16-20(17,18)13-7-12(9-15-6)19-11(13)2/h7,10,15-16H,8-9H2,1-6H3
InChIKeyZVNUNOCBQYGSPB-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide (CID 83147747) is 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC(C)C(C)(C)C)c(C)s1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide?
The InChIKey is ZVNUNOCBQYGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-10(14(3,4)5)8-16-20(17,18)13-7-12(9-15-6)19-11(13)2/h7,10,15-16H,8-9H2,1-6H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide?
2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 83147747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).