1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide

C16H24N6O2S — CID 122317998

IUPAC1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2nc(C)cc(N3CCCC3)n2)nc1C
InChIInChI=1S/C16H24N6O2S/c1-4-21-11-16(19-13(21)3)25(23,24)17-10-14-18-12(2)9-15(20-14)22-7-5-6-8-22/h9,11,17H,4-8,10H2,1-3H3
InChIKeyLUKKXEWVTDGRRI-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.39
Rot. Bonds6

About 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide (PubChem CID 122317998) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
PubChem CID122317998
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2nc(C)cc(N3CCCC3)n2)nc1C
InChIInChI=1S/C16H24N6O2S/c1-4-21-11-16(19-13(21)3)25(23,24)17-10-14-18-12(2)9-15(20-14)22-7-5-6-8-22/h9,11,17H,4-8,10H2,1-3H3
InChIKeyLUKKXEWVTDGRRI-UHFFFAOYSA-N
XLogP1.39
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294040
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
3-chloro-4-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318010
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
2-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318153
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122317958
5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 122317962
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122317983
2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318009
3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318154
4-methoxy-3-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318146
1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122319238

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide (CID 122317998) is 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2nc(C)cc(N3CCCC3)n2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is LUKKXEWVTDGRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-4-21-11-16(19-13(21)3)25(23,24)17-10-14-18-12(2)9-15(20-14)22-7-5-6-8-22/h9,11,17H,4-8,10H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122317998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).