N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide

C13H18N6O2S — CID 122299894

IUPACN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)c3cnc[nH]3)cn2)CC1
InChIInChI=1S/C13H18N6O2S/c1-10-2-4-19(5-3-10)13-15-6-11(7-16-13)18-22(20,21)12-8-14-9-17-12/h6-10,18H,2-5H2,1H3,(H,14,17)
InChIKeyRXAHKGPCOUYTLF-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.24
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide (PubChem CID 122299894) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide
PubChem CID122299894
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)c3cnc[nH]3)cn2)CC1
InChIInChI=1S/C13H18N6O2S/c1-10-2-4-19(5-3-10)13-15-6-11(7-16-13)18-22(20,21)12-8-14-9-17-12/h6-10,18H,2-5H2,1H3,(H,14,17)
InChIKeyRXAHKGPCOUYTLF-UHFFFAOYSA-N
XLogP1.24
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide (CID 122299894) is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide is CC1CCN(c2ncc(NS(=O)(=O)c3cnc[nH]3)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide?
The InChIKey is RXAHKGPCOUYTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-10-2-4-19(5-3-10)13-15-6-11(7-16-13)18-22(20,21)12-8-14-9-17-12/h6-10,18H,2-5H2,1H3,(H,14,17).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide?
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 122299894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).