4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

C16H25N5O3S — CID 665922

IUPAC4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2)cc1
InChIInChI=1S/C16H25N5O3S/c1-14-2-4-15(5-3-14)25(22,23)19-16-17-12-21(13-18-16)7-6-20-8-10-24-11-9-20/h2-5H,6-13H2,1H3,(H2,17,18,19)
InChIKeyIMAPGVFMMKIXES-UHFFFAOYSA-N
MW367.48 g/mol
LogP-0.22
Rot. Bonds5

About 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 665922) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID665922
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2)cc1
InChIInChI=1S/C16H25N5O3S/c1-14-2-4-15(5-3-14)25(22,23)19-16-17-12-21(13-18-16)7-6-20-8-10-24-11-9-20/h2-5H,6-13H2,1H3,(H2,17,18,19)
InChIKeyIMAPGVFMMKIXES-UHFFFAOYSA-N
XLogP-0.22
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 665922) is 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is IMAPGVFMMKIXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-14-2-4-15(5-3-14)25(22,23)19-16-17-12-21(13-18-16)7-6-20-8-10-24-11-9-20/h2-5H,6-13H2,1H3,(H2,17,18,19).
What are the key properties of 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 367.48 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 665922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).