N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide

C15H20N4O3S — CID 131647206

IUPACN-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1Cn2nnc(-c3ccccc3)c2CO1
InChIInChI=1S/C15H20N4O3S/c1-2-8-23(20,21)16-9-13-10-19-14(11-22-13)15(17-18-19)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeyBPUAXVQEIDMPLU-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.17
Rot. Bonds6

About N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide

N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide (PubChem CID 131647206) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
PubChem CID131647206
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1Cn2nnc(-c3ccccc3)c2CO1
InChIInChI=1S/C15H20N4O3S/c1-2-8-23(20,21)16-9-13-10-19-14(11-22-13)15(17-18-19)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeyBPUAXVQEIDMPLU-UHFFFAOYSA-N
XLogP1.17
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide (CID 131647206) is N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1Cn2nnc(-c3ccccc3)c2CO1.
What is the InChIKey of N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide?
The InChIKey is BPUAXVQEIDMPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-2-8-23(20,21)16-9-13-10-19-14(11-22-13)15(17-18-19)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3.
What are the key properties of N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide?
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 131647206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).