N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide

C15H20N2O2S2 — CID 75382887

IUPACN-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(C)c2ccsc2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-12(15-7-8-20-10-15)17-9-13-3-5-14(6-4-13)11-21(18,19)16-2/h3-8,10,12,16-17H,9,11H2,1-2H3
InChIKeyWFVHEJSQPRYPRP-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.65
Rot. Bonds7

About N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide

N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide (PubChem CID 75382887) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide
PubChem CID75382887
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(C)c2ccsc2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-12(15-7-8-20-10-15)17-9-13-3-5-14(6-4-13)11-21(18,19)16-2/h3-8,10,12,16-17H,9,11H2,1-2H3
InChIKeyWFVHEJSQPRYPRP-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide 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-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide
CID 62840445
4-[(1-thiophen-3-ylethylamino)methyl]benzene-1,2-diol
CID 62840100
1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide
CID 106056569
N-[(3-fluoro-5-nitrophenyl)methyl]-1-thiophen-3-ylethanamine
CID 112646749
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 126637013
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62523324
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-methyl-1-thiophen-3-ylethanesulfonamide
CID 165445460
2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
CID 55122352

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide (CID 75382887) is N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide is CNS(=O)(=O)Cc1ccc(CNC(C)c2ccsc2)cc1.
What is the InChIKey of N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide?
The InChIKey is WFVHEJSQPRYPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-12(15-7-8-20-10-15)17-9-13-3-5-14(6-4-13)11-21(18,19)16-2/h3-8,10,12,16-17H,9,11H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide?
N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 75382887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).