N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide

C15H21N5O3S — CID 51335575

IUPACN-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H21N5O3S/c1-13(18(2)24(21,22)19-7-9-23-10-8-19)14-3-5-15(6-4-14)20-12-16-11-17-20/h3-6,11-13H,7-10H2,1-2H3
InChIKeyAMHQLSUPNBPOFI-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.84
Rot. Bonds5

About N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide

N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide (PubChem CID 51335575) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
PubChem CID51335575
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H21N5O3S/c1-13(18(2)24(21,22)19-7-9-23-10-8-19)14-3-5-15(6-4-14)20-12-16-11-17-20/h3-6,11-13H,7-10H2,1-2H3
InChIKeyAMHQLSUPNBPOFI-UHFFFAOYSA-N
XLogP0.84
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide (CID 51335575) is N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide is CC(c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide?
The InChIKey is AMHQLSUPNBPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-13(18(2)24(21,22)19-7-9-23-10-8-19)14-3-5-15(6-4-14)20-12-16-11-17-20/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide?
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 51335575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).