N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide

C15H23N5O3S — CID 129333164

IUPACN-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)c1
InChIInChI=1S/C15H23N5O3S/c1-11(2)20-8-15(17-10-20)24(21,22)18-12-4-5-23-14(6-12)13-7-16-9-19(13)3/h7-12,14,18H,4-6H2,1-3H3/t12-,14-/m1/s1
InChIKeyLXGPCSZDQVQYHM-TZMCWYRMSA-N
MW353.45 g/mol
LogP1.40
Rot. Bonds5

About N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide

N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 129333164) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID129333164
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)c1
InChIInChI=1S/C15H23N5O3S/c1-11(2)20-8-15(17-10-20)24(21,22)18-12-4-5-23-14(6-12)13-7-16-9-19(13)3/h7-12,14,18H,4-6H2,1-3H3/t12-,14-/m1/s1
InChIKeyLXGPCSZDQVQYHM-TZMCWYRMSA-N
XLogP1.40
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide (CID 129333164) is N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)c1.
What is the InChIKey of N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is LXGPCSZDQVQYHM-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-11(2)20-8-15(17-10-20)24(21,22)18-12-4-5-23-14(6-12)13-7-16-9-19(13)3/h7-12,14,18H,4-6H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 353.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 129333164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).