1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide

C14H20N6O2S — CID 71806272

IUPAC1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C14H20N6O2S/c1-19-10-13(17-11-19)23(21,22)18-9-12-3-7-20(8-4-12)14-15-5-2-6-16-14/h2,5-6,10-12,18H,3-4,7-9H2,1H3
InChIKeySQNWFYJZBGWOJK-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.41
Rot. Bonds5

About 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide

1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 71806272) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID71806272
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C14H20N6O2S/c1-19-10-13(17-11-19)23(21,22)18-9-12-3-7-20(8-4-12)14-15-5-2-6-16-14/h2,5-6,10-12,18H,3-4,7-9H2,1H3
InChIKeySQNWFYJZBGWOJK-UHFFFAOYSA-N
XLogP0.41
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-Methylimidazol-1-yl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54584343
2-(2-Methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54581398
4-(2-Methylimidazol-1-yl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 54584344
4-Methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine
CID 95824699
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-2-isopropyl-1-methyl-1H-imidazole-4-sulfonamide
CID 91814144
N-pyrimidin-2-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 127993313
4-chloro-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 155688579
2-[1-(3-Methylimidazol-3-ium-1-yl)sulfonylpiperidin-4-yl]pyrimidine;trifluoromethanesulfonate
CID 156153323
4-N-cyclopentyl-2-N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 170444300
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-1-isopropyl-1H-imidazole-4-sulfonamide
CID 91814143
2-[4-(1-Methylimidazol-4-yl)sulfonylpiperazin-1-yl]-5-propylpyrimidine
CID 2812710
N-((1-(pyrimidin-2-yl)piperidin-4-yl)methyl)ethanesulfonamide
CID 16671837

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide (CID 71806272) is 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is SQNWFYJZBGWOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-19-10-13(17-11-19)23(21,22)18-9-12-3-7-20(8-4-12)14-15-5-2-6-16-14/h2,5-6,10-12,18H,3-4,7-9H2,1H3.
What are the key properties of 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 71806272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).