2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide

C12H16N2O3S2 — CID 102752351

IUPAC2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(C)Cc1ccoc1
InChIInChI=1S/C12H16N2O3S2/c1-9-8-18-11(5-13)12(9)19(15,16)14(2)6-10-3-4-17-7-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyIJELUBUNWMXSII-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds5

About 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide

2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide (PubChem CID 102752351) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide
PubChem CID102752351
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(C)Cc1ccoc1
InChIInChI=1S/C12H16N2O3S2/c1-9-8-18-11(5-13)12(9)19(15,16)14(2)6-10-3-4-17-7-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyIJELUBUNWMXSII-UHFFFAOYSA-N
XLogP1.93
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 106996774
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749783
2-(chloromethyl)-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-3-sulfonamide
CID 102750411
2-amino-N-(furan-3-ylmethyl)-N-methylethanesulfonamide
CID 61456833
5-amino-4-bromo-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 114625431
2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 102751202
4-[furan-3-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81435035
2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61422760
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102752582
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102754394
2-chloro-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 61422711

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide (CID 102752351) is 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)N(C)Cc1ccoc1.
What is the InChIKey of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide?
The InChIKey is IJELUBUNWMXSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-9-8-18-11(5-13)12(9)19(15,16)14(2)6-10-3-4-17-7-10/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 102752351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).