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

C14H26N2O2S2 — CID 102754672

IUPAC4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C14H26N2O2S2/c1-10-9-19-12(8-15-6)13(10)20(17,18)16-7-11(2)14(3,4)5/h9,11,15-16H,7-8H2,1-6H3
InChIKeyGBRHOSQSJKJRQE-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.74
Rot. Bonds6

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

4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide (PubChem CID 102754672) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
PubChem CID102754672
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC Name4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C14H26N2O2S2/c1-10-9-19-12(8-15-6)13(10)20(17,18)16-7-11(2)14(3,4)5/h9,11,15-16H,7-8H2,1-6H3
InChIKeyGBRHOSQSJKJRQE-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 4-methyl-2-(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

Related Compounds

2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 83147747
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 114138798
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079151
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
CID 102754819
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087081
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
CID 106015963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide (CID 102754672) is 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide?
The InChIKey is GBRHOSQSJKJRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-10-9-19-12(8-15-6)13(10)20(17,18)16-7-11(2)14(3,4)5/h9,11,15-16H,7-8H2,1-6H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide?
4-methyl-2-(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 4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102754672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).