2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene

C10H12N2O2S3 — CID 112684189

IUPAC2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
SMILESNS(=O)(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C10H12N2O2S3/c11-17(13,14)12(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h1-6H,7-8H2,(H2,11,13,14)
InChIKeyOTXJNBPWXPTCEF-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.02
Rot. Bonds5

About 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene

2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene (PubChem CID 112684189) has the molecular formula C10H12N2O2S3 and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene.

Molecular Properties

Compound Name2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
PubChem CID112684189
Molecular FormulaC10H12N2O2S3
Molecular Weight288.42 g/mol
Exact Mass288.01
IUPAC Name2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
SMILESNS(=O)(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C10H12N2O2S3/c11-17(13,14)12(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h1-6H,7-8H2,(H2,11,13,14)
InChIKeyOTXJNBPWXPTCEF-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide
CID 51331024
4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
CID 116815238
1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 61114484
2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801780
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60929148
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971
N-propan-2-yl-N-(thiophen-2-ylmethyl)propane-2-sulfonamide
CID 61395279
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776

Frequently Asked Questions

What is the IUPAC name of 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene?
The IUPAC name of 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene (CID 112684189) is 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene.
What is the SMILES notation for 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene?
The canonical SMILES for 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene is NS(=O)(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene?
The InChIKey is OTXJNBPWXPTCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S3/c11-17(13,14)12(7-9-3-1-5-15-9)8-10-4-2-6-16-10/h1-6H,7-8H2,(H2,11,13,14).
What are the key properties of 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene?
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene has a molecular weight of 288.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene is sourced from PubChem (CID 112684189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).