4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide

C14H19N3O2S2 — CID 106065592

IUPAC4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCc1ncccc1C
InChIInChI=1S/C14H19N3O2S2/c1-10-5-4-6-16-12(10)7-17-21(18,19)14-11(2)9-20-13(14)8-15-3/h4-6,9,15,17H,7-8H2,1-3H3
InChIKeyCJLHXFVSHIRELP-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.96
Rot. Bonds6

About 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide (PubChem CID 106065592) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide
PubChem CID106065592
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCc1ncccc1C
InChIInChI=1S/C14H19N3O2S2/c1-10-5-4-6-16-12(10)7-17-21(18,19)14-11(2)9-20-13(14)8-15-3/h4-6,9,15,17H,7-8H2,1-3H3
InChIKeyCJLHXFVSHIRELP-UHFFFAOYSA-N
XLogP1.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
N-[(3-bromophenyl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106018690
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106066930
5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 79939263
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854
4-chloro-N-[(3-methyl-2-pyridinyl)methyl]butane-1-sulfonamide
CID 116816179
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086
N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076088
3-amino-5-chloro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 114379607

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide (CID 106065592) is 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NCc1ncccc1C.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide?
The InChIKey is CJLHXFVSHIRELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10-5-4-6-16-12(10)7-17-21(18,19)14-11(2)9-20-13(14)8-15-3/h4-6,9,15,17H,7-8H2,1-3H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106065592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).