2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine

C15H20N2O4S3 — CID 130358510

IUPAC2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C15H20N2O4S3/c1-17(2)9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8H,9-11,16H2,1-2H3
InChIKeyLPEQHEBDUZAIOR-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.37
Rot. Bonds7

About 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine

2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine (PubChem CID 130358510) has the molecular formula C15H20N2O4S3 and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine
PubChem CID130358510
Molecular FormulaC15H20N2O4S3
Molecular Weight388.54 g/mol
Exact Mass388.06
IUPAC Name2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine
SMILESCN(C)CCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C15H20N2O4S3/c1-17(2)9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8H,9-11,16H2,1-2H3
InChIKeyLPEQHEBDUZAIOR-UHFFFAOYSA-N
XLogP1.37
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine (CID 130358510) is 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine is CN(C)CCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine?
The InChIKey is LPEQHEBDUZAIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S3/c1-17(2)9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8H,9-11,16H2,1-2H3.
What are the key properties of 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine?
2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine has a molecular weight of 388.54 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonyl-N,N-dimethylethanamine is sourced from PubChem (CID 130358510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).