N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide

C12H17N3O2S2 — CID 70739875

IUPACN-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide
SMILESCc1ccsc1-c1nccn1CCN(C)S(C)(=O)=O
InChIInChI=1S/C12H17N3O2S2/c1-10-4-9-18-11(10)12-13-5-6-15(12)8-7-14(2)19(3,16)17/h4-6,9H,7-8H2,1-3H3
InChIKeyZPMALFGLAMYFIU-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.81
Rot. Bonds5

About N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide (PubChem CID 70739875) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide
PubChem CID70739875
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide
SMILESCc1ccsc1-c1nccn1CCN(C)S(C)(=O)=O
InChIInChI=1S/C12H17N3O2S2/c1-10-4-9-18-11(10)12-13-5-6-15(12)8-7-14(2)19(3,16)17/h4-6,9H,7-8H2,1-3H3
InChIKeyZPMALFGLAMYFIU-UHFFFAOYSA-N
XLogP1.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide (CID 70739875) is N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide is Cc1ccsc1-c1nccn1CCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is ZPMALFGLAMYFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-10-4-9-18-11(10)12-13-5-6-15(12)8-7-14(2)19(3,16)17/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 70739875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).