1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide

C15H21N5O2S — CID 91624852

IUPAC1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCN(c3cccnc3)CC2)c1
InChIInChI=1S/C15H21N5O2S/c1-19-11-15(17-12-19)23(21,22)18-9-13-4-7-20(8-5-13)14-3-2-6-16-10-14/h2-3,6,10-13,18H,4-5,7-9H2,1H3
InChIKeyLFBLRZGLXOFYBH-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.01
Rot. Bonds5

About 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide

1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 91624852) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID91624852
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCN(c3cccnc3)CC2)c1
InChIInChI=1S/C15H21N5O2S/c1-19-11-15(17-12-19)23(21,22)18-9-13-4-7-20(8-5-13)14-3-2-6-16-10-14/h2-3,6,10-13,18H,4-5,7-9H2,1H3
InChIKeyLFBLRZGLXOFYBH-UHFFFAOYSA-N
XLogP1.01
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide (CID 91624852) is 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2CCN(c3cccnc3)CC2)c1.
What is the InChIKey of 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is LFBLRZGLXOFYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-19-11-15(17-12-19)23(21,22)18-9-13-4-7-20(8-5-13)14-3-2-6-16-10-14/h2-3,6,10-13,18H,4-5,7-9H2,1H3.
What are the key properties of 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 91624852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).