N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide

C13H14N2O2S2 — CID 2796690

IUPACN-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1/N=C/c1cccs1
InChIInChI=1S/C13H14N2O2S2/c1-10-5-6-11(15-19(2,16)17)8-13(10)14-9-12-4-3-7-18-12/h3-9,15H,1-2H3/b14-9+
InChIKeyPUVBQGONNBXMCA-NTEUORMPSA-N
MW294.40 g/mol
LogP3.18
Rot. Bonds4

About N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide

N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide (PubChem CID 2796690) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide
PubChem CID2796690
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1/N=C/c1cccs1
InChIInChI=1S/C13H14N2O2S2/c1-10-5-6-11(15-19(2,16)17)8-13(10)14-9-12-4-3-7-18-12/h3-9,15H,1-2H3/b14-9+
InChIKeyPUVBQGONNBXMCA-NTEUORMPSA-N
XLogP3.18
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide (CID 2796690) is N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide is Cc1ccc(NS(C)(=O)=O)cc1/N=C/c1cccs1.
What is the InChIKey of N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide?
The InChIKey is PUVBQGONNBXMCA-NTEUORMPSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-10-5-6-11(15-19(2,16)17)8-13(10)14-9-12-4-3-7-18-12/h3-9,15H,1-2H3/b14-9+.
What are the key properties of N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide?
N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide has a molecular weight of 294.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(thiophen-2-ylmethylideneamino)phenyl]methanesulfonamide is sourced from PubChem (CID 2796690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).