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

C15H20N4O3S — CID 91629856

IUPAC1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2cccnc2)C2CCOCC2)c1
InChIInChI=1S/C15H20N4O3S/c1-19-10-14(17-11-19)23(20,21)18-15(12-4-7-22-8-5-12)13-3-2-6-16-9-13/h2-3,6,9-12,15,18H,4-5,7-8H2,1H3
InChIKeyXNOFRDKKZQSSNB-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.26
Rot. Bonds5

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

1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide (PubChem CID 91629856) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide
PubChem CID91629856
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2cccnc2)C2CCOCC2)c1
InChIInChI=1S/C15H20N4O3S/c1-19-10-14(17-11-19)23(20,21)18-15(12-4-7-22-8-5-12)13-3-2-6-16-9-13/h2-3,6,9-12,15,18H,4-5,7-8H2,1H3
InChIKeyXNOFRDKKZQSSNB-UHFFFAOYSA-N
XLogP1.26
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90404667
CID 90404667
CID 90404700
CID 90404700
CID 90404874
CID 90404874
CID 90404929
CID 90404929
CID 90404971
CID 90404971
CID 90404990
CID 90404990
CID 90404992
CID 90404992
CID 90405616
CID 90405616
CID 90405655
CID 90405655
CID 90405675
CID 90405675
CID 90405782
CID 90405782
CID 90405835
CID 90405835

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide (CID 91629856) is 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC(c2cccnc2)C2CCOCC2)c1.
What is the InChIKey of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is XNOFRDKKZQSSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-19-10-14(17-11-19)23(20,21)18-15(12-4-7-22-8-5-12)13-3-2-6-16-9-13/h2-3,6,9-12,15,18H,4-5,7-8H2,1H3.
What are the key properties of 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 91629856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).