N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide

C12H14N2O4S3 — CID 130358508

IUPACN-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C12H14N2O4S3/c1-20(15,16)14-9-2-5-11(6-3-9)21(17,18)12-7-4-10(8-13)19-12/h2-7,14H,8,13H2,1H3
InChIKeyLPGJUOMOMHZFOD-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.41
Rot. Bonds5

About N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide

N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide (PubChem CID 130358508) has the molecular formula C12H14N2O4S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide
PubChem CID130358508
Molecular FormulaC12H14N2O4S3
Molecular Weight346.46 g/mol
Exact Mass346.01
IUPAC NameN-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C12H14N2O4S3/c1-20(15,16)14-9-2-5-11(6-3-9)21(17,18)12-7-4-10(8-13)19-12/h2-7,14H,8,13H2,1H3
InChIKeyLPGJUOMOMHZFOD-UHFFFAOYSA-N
XLogP1.41
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide (CID 130358508) is N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide?
The InChIKey is LPGJUOMOMHZFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S3/c1-20(15,16)14-9-2-5-11(6-3-9)21(17,18)12-7-4-10(8-13)19-12/h2-7,14H,8,13H2,1H3.
What are the key properties of N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide?
N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]methanesulfonamide is sourced from PubChem (CID 130358508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).