5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide

C15H20N2O2S2 — CID 106026493

IUPAC5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2cc(CN)sc2C)cc1
InChIInChI=1S/C15H20N2O2S2/c1-3-4-12-5-7-13(8-6-12)17-21(18,19)15-9-14(10-16)20-11(15)2/h5-9,17H,3-4,10,16H2,1-2H3
InChIKeyYBUBJEGNEUSPJZ-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.27
Rot. Bonds6

About 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide (PubChem CID 106026493) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
PubChem CID106026493
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide
SMILESCCCc1ccc(NS(=O)(=O)c2cc(CN)sc2C)cc1
InChIInChI=1S/C15H20N2O2S2/c1-3-4-12-5-7-13(8-6-12)17-21(18,19)15-9-14(10-16)20-11(15)2/h5-9,17H,3-4,10,16H2,1-2H3
InChIKeyYBUBJEGNEUSPJZ-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide
CID 106059579
5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088723
N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 61221447
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
CID 106087437
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961
5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide (CID 106026493) is 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide is CCCc1ccc(NS(=O)(=O)c2cc(CN)sc2C)cc1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide?
The InChIKey is YBUBJEGNEUSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-3-4-12-5-7-13(8-6-12)17-21(18,19)15-9-14(10-16)20-11(15)2/h5-9,17H,3-4,10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(4-propylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106026493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).