N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide

C14H21N5O2S — CID 70710650

IUPACN-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide
SMILESCC(C)c1nccc(-c2nccn2CCN(C)S(C)(=O)=O)n1
InChIInChI=1S/C14H21N5O2S/c1-11(2)13-15-6-5-12(17-13)14-16-7-8-19(14)10-9-18(3)22(4,20)21/h5-8,11H,9-10H2,1-4H3
InChIKeyMFNGTORCLWIIGL-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.35
Rot. Bonds6

About N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide

N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide (PubChem CID 70710650) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide
PubChem CID70710650
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide
SMILESCC(C)c1nccc(-c2nccn2CCN(C)S(C)(=O)=O)n1
InChIInChI=1S/C14H21N5O2S/c1-11(2)13-15-6-5-12(17-13)14-16-7-8-19(14)10-9-18(3)22(4,20)21/h5-8,11H,9-10H2,1-4H3
InChIKeyMFNGTORCLWIIGL-UHFFFAOYSA-N
XLogP1.35
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide (CID 70710650) is N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide is CC(C)c1nccc(-c2nccn2CCN(C)S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is MFNGTORCLWIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-11(2)13-15-6-5-12(17-13)14-16-7-8-19(14)10-9-18(3)22(4,20)21/h5-8,11H,9-10H2,1-4H3.
What are the key properties of N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 70710650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).