ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide

C10H18N2O2S2 — CID 142231695

IUPACethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide
SMILESCC.CNCc1cc(C(=O)NS(C)=O)cs1
InChIInChI=1S/C8H12N2O2S2.C2H6/c1-9-4-7-3-6(5-13-7)8(11)10-14(2)12;1-2/h3,5,9H,4H2,1-2H3,(H,10,11);1-2H3
InChIKeyODZPEMLSAAREBE-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.52
Rot. Bonds4

About ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide

ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide (PubChem CID 142231695) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide.

Molecular Properties

Compound Nameethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide
PubChem CID142231695
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Nameethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide
SMILESCC.CNCc1cc(C(=O)NS(C)=O)cs1
InChIInChI=1S/C8H12N2O2S2.C2H6/c1-9-4-7-3-6(5-13-7)8(11)10-14(2)12;1-2/h3,5,9H,4H2,1-2H3,(H,10,11);1-2H3
InChIKeyODZPEMLSAAREBE-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide
CID 163225802
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
5-[(3-methylpentan-3-ylamino)methyl]thiophene-3-carboxylic acid
CID 106328425
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]thiophene-3-carboxylic acid
CID 81398371
5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]thiophene-3-carboxylic acid
CID 115356130
5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid
CID 106380427
5-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]thiophene-3-carboxylic acid
CID 114164019
5-[(2-propan-2-yloxyethylamino)methyl]thiophene-3-carboxylic acid
CID 104759331
5-[(2,3,5,6-tetrafluoroanilino)methyl]thiophene-3-carboxylic acid
CID 107643616
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]thiophene-3-carboxylic acid
CID 106145745
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545

Frequently Asked Questions

What is the IUPAC name of ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide?
The IUPAC name of ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide (CID 142231695) is ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide.
What is the SMILES notation for ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide?
The canonical SMILES for ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide is CC.CNCc1cc(C(=O)NS(C)=O)cs1.
What is the InChIKey of ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide?
The InChIKey is ODZPEMLSAAREBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2.C2H6/c1-9-4-7-3-6(5-13-7)8(11)10-14(2)12;1-2/h3,5,9H,4H2,1-2H3,(H,10,11);1-2H3.
What are the key properties of ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide?
ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide is sourced from PubChem (CID 142231695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).