5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide

C12H14N2O2S3 — CID 106057752

IUPAC5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2csc(CN)c2)cc1
InChIInChI=1S/C12H14N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-6-11(7-13)18-8-12/h2-6,8,14H,7,13H2,1H3
InChIKeyULUISMPSAYJXNM-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.73
Rot. Bonds5

About 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide (PubChem CID 106057752) has the molecular formula C12H14N2O2S3 and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
PubChem CID106057752
Molecular FormulaC12H14N2O2S3
Molecular Weight314.46 g/mol
Exact Mass314.02
IUPAC Name5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2csc(CN)c2)cc1
InChIInChI=1S/C12H14N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-6-11(7-13)18-8-12/h2-6,8,14H,7,13H2,1H3
InChIKeyULUISMPSAYJXNM-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106030415
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
5-(aminomethyl)-N-(2,5-difluoro-4-methylphenyl)thiophene-3-sulfonamide
CID 106087283
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
CID 106058021
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
CID 106057499
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
CID 106061159
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
3-amino-4-bromo-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 115328665

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide (CID 106057752) is 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide is CSc1ccc(NS(=O)(=O)c2csc(CN)c2)cc1.
What is the InChIKey of 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide?
The InChIKey is ULUISMPSAYJXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-6-11(7-13)18-8-12/h2-6,8,14H,7,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106057752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).