N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide

C14H23N5O2S — CID 38021503

IUPACN-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(CCN(C)C)CN2)cc1
InChIInChI=1S/C14H23N5O2S/c1-12-4-6-13(7-5-12)22(20,21)17-14-15-10-19(11-16-14)9-8-18(2)3/h4-7H,8-11H2,1-3H3,(H2,15,16,17)
InChIKeyLCZOLIHSKGDESA-UHFFFAOYSA-N
MW325.44 g/mol
LogP0.01
Rot. Bonds5

About N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide

N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide (PubChem CID 38021503) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
PubChem CID38021503
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(CCN(C)C)CN2)cc1
InChIInChI=1S/C14H23N5O2S/c1-12-4-6-13(7-5-12)22(20,21)17-14-15-10-19(11-16-14)9-8-18(2)3/h4-7H,8-11H2,1-3H3,(H2,15,16,17)
InChIKeyLCZOLIHSKGDESA-UHFFFAOYSA-N
XLogP0.01
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 50.01
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
sodium 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetate
CID 23673980
4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 7339712
N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 7339714
N-[3-(2,3-dimethylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 17336978
4-chloro-N-[3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124797704
2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetic acid;5-methyl-2-phenyl-4-[(2,4,6-tribromophenyl)iminomethyl]-1H-pyrazole-3-thione
CID 136639904
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124907507
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
CID 132523995
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide (CID 38021503) is N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCN(CCN(C)C)CN2)cc1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide?
The InChIKey is LCZOLIHSKGDESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-12-4-6-13(7-5-12)22(20,21)17-14-15-10-19(11-16-14)9-8-18(2)3/h4-7H,8-11H2,1-3H3,(H2,15,16,17).
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide?
N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide has a molecular weight of 325.44 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 38021503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).