N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine

C16H16N2O2S2 — CID 11702720

IUPACN-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccsc2)c1
InChIInChI=1S/C16H16N2O2S2/c1-17-10-13-9-16(14-5-3-2-4-6-14)18(11-13)22(19,20)15-7-8-21-12-15/h2-9,11-12,17H,10H2,1H3
InChIKeyUKKZWIUAZVOBNP-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine

N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine (PubChem CID 11702720) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine
PubChem CID11702720
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC NameN-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccsc2)c1
InChIInChI=1S/C16H16N2O2S2/c1-17-10-13-9-16(14-5-3-2-4-6-14)18(11-13)22(19,20)15-7-8-21-12-15/h2-9,11-12,17H,10H2,1H3
InChIKeyUKKZWIUAZVOBNP-UHFFFAOYSA-N
XLogP3.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine (CID 11702720) is N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine is CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccsc2)c1.
What is the InChIKey of N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine?
The InChIKey is UKKZWIUAZVOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-17-10-13-9-16(14-5-3-2-4-6-14)18(11-13)22(19,20)15-7-8-21-12-15/h2-9,11-12,17H,10H2,1H3.
What are the key properties of N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine?
N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine has a molecular weight of 332.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-phenyl-1-thiophen-3-ylsulfonylpyrrol-3-yl)methanamine is sourced from PubChem (CID 11702720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).