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

C15H22N4O3S — CID 7339712

IUPAC4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(C[C@H]3CCCO3)CN2)cc1
InChIInChI=1S/C15H22N4O3S/c1-12-4-6-14(7-5-12)23(20,21)18-15-16-10-19(11-17-15)9-13-3-2-8-22-13/h4-7,13H,2-3,8-11H2,1H3,(H2,16,17,18)/t13-/m1/s1
InChIKeyYDEPMJJQTLGDET-CYBMUJFWSA-N
MW338.43 g/mol
LogP0.63
Rot. Bonds4

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

4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 7339712) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID7339712
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(C[C@H]3CCCO3)CN2)cc1
InChIInChI=1S/C15H22N4O3S/c1-12-4-6-14(7-5-12)23(20,21)18-15-16-10-19(11-17-15)9-13-3-2-8-22-13/h4-7,13H,2-3,8-11H2,1H3,(H2,16,17,18)/t13-/m1/s1
InChIKeyYDEPMJJQTLGDET-CYBMUJFWSA-N
XLogP0.63
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 3450959
N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 38021503
N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 7339714
[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
CID 6496898
4-chloro-N-[3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124797704
N-[3-(2,3-dimethylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 17336978
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
N-[(Z)-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 9073398
N-[(Z)-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 9073392
N-[2-fluoro-6-(oxolan-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372450
4-fluoro-N-[3-(4-methylphenyl)sulfonyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide
CID 1394595
6-[(4-nitrophenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 134117879

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 7339712) is 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCN(C[C@H]3CCCO3)CN2)cc1.
What is the InChIKey of 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is YDEPMJJQTLGDET-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-12-4-6-14(7-5-12)23(20,21)18-15-16-10-19(11-17-15)9-13-3-2-8-22-13/h4-7,13H,2-3,8-11H2,1H3,(H2,16,17,18)/t13-/m1/s1.
What are the key properties of 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 7339712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).