5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide

C15H20N2O2S2 — CID 62004378

IUPAC5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
SMILESCc1cc(C)cc(N(C)S(=O)(=O)c2ccc(CCN)s2)c1
InChIInChI=1S/C15H20N2O2S2/c1-11-8-12(2)10-13(9-11)17(3)21(18,19)15-5-4-14(20-15)6-7-16/h4-5,8-10H,6-7,16H2,1-3H3
InChIKeyJDUGZEMSEYISCT-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.69
Rot. Bonds5

About 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide (PubChem CID 62004378) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
PubChem CID62004378
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide
SMILESCc1cc(C)cc(N(C)S(=O)(=O)c2ccc(CCN)s2)c1
InChIInChI=1S/C15H20N2O2S2/c1-11-8-12(2)10-13(9-11)17(3)21(18,19)15-5-4-14(20-15)6-7-16/h4-5,8-10H,6-7,16H2,1-3H3
InChIKeyJDUGZEMSEYISCT-UHFFFAOYSA-N
XLogP2.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide (CID 62004378) is 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide is Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(CCN)s2)c1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is JDUGZEMSEYISCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11-8-12(2)10-13(9-11)17(3)21(18,19)15-5-4-14(20-15)6-7-16/h4-5,8-10H,6-7,16H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3,5-dimethylphenyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 62004378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).