N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine

C15H15N3O2S2 — CID 66974732

IUPACN-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine
SMILESCNCc1cc(-c2cccs2)n(S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C15H15N3O2S2/c1-16-9-12-8-14(15-5-3-7-21-15)18(11-12)22(19,20)13-4-2-6-17-10-13/h2-8,10-11,16H,9H2,1H3
InChIKeyYRWGZEAILDMTOA-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.57
Rot. Bonds5

About N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine

N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine (PubChem CID 66974732) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine
PubChem CID66974732
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine
SMILESCNCc1cc(-c2cccs2)n(S(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C15H15N3O2S2/c1-16-9-12-8-14(15-5-3-7-21-15)18(11-12)22(19,20)13-4-2-6-17-10-13/h2-8,10-11,16H,9H2,1H3
InChIKeyYRWGZEAILDMTOA-UHFFFAOYSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine (CID 66974732) is N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine is CNCc1cc(-c2cccs2)n(S(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine?
The InChIKey is YRWGZEAILDMTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-16-9-12-8-14(15-5-3-7-21-15)18(11-12)22(19,20)13-4-2-6-17-10-13/h2-8,10-11,16H,9H2,1H3.
What are the key properties of N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine?
N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine has a molecular weight of 333.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66974732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).