[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine

C14H17NO4S3 — CID 158924198

IUPAC[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H17NO4S3/c1-2-9-21(16,17)12-4-6-13(7-5-12)22(18,19)14-8-3-11(10-15)20-14/h3-8H,2,9-10,15H2,1H3
InChIKeyFMJYKUCBEDGPMD-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.22
Rot. Bonds6

About [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine

[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 158924198) has the molecular formula C14H17NO4S3 and a molecular weight of 359.49 g/mol. Its IUPAC name is [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID158924198
Molecular FormulaC14H17NO4S3
Molecular Weight359.49 g/mol
Exact Mass359.03
IUPAC Name[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H17NO4S3/c1-2-9-21(16,17)12-4-6-13(7-5-12)22(18,19)14-8-3-11(10-15)20-14/h3-8H,2,9-10,15H2,1H3
InChIKeyFMJYKUCBEDGPMD-UHFFFAOYSA-N
XLogP2.22
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine (CID 158924198) is [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine is CCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is FMJYKUCBEDGPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S3/c1-2-9-21(16,17)12-4-6-13(7-5-12)22(18,19)14-8-3-11(10-15)20-14/h3-8H,2,9-10,15H2,1H3.
What are the key properties of [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 359.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 158924198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).