N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide

C15H24N6O3S — CID 162664639

IUPACN-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C15H24N6O3S/c1-11-5-7-12(8-6-11)25(22,23)18-9-4-10-24-21-14(17)19-13(16)20-15(21,2)3/h5-8,18H,4,9-10H2,1-3H3,(H4,16,17,19,20)
InChIKeyBRZDSRYXZPJAFD-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.28
Rot. Bonds7

About N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide

N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide (PubChem CID 162664639) has the molecular formula C15H24N6O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide
PubChem CID162664639
Molecular FormulaC15H24N6O3S
Molecular Weight368.46 g/mol
Exact Mass368.16
IUPAC NameN-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C15H24N6O3S/c1-11-5-7-12(8-6-11)25(22,23)18-9-4-10-24-21-14(17)19-13(16)20-15(21,2)3/h5-8,18H,4,9-10H2,1-3H3,(H4,16,17,19,20)
InChIKeyBRZDSRYXZPJAFD-UHFFFAOYSA-N
XLogP0.28
TPSA135.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide
CID 162662950
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate
CID 101414812
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
3-[(4-methylphenyl)sulfonylamino]propyl trifluoromethanesulfonate
CID 10992051
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4-methylbenzenesulfonamide
CID 11702689
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
CID 177415345

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide (CID 162664639) is N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCON2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide?
The InChIKey is BRZDSRYXZPJAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3S/c1-11-5-7-12(8-6-11)25(22,23)18-9-4-10-24-21-14(17)19-13(16)20-15(21,2)3/h5-8,18H,4,9-10H2,1-3H3,(H4,16,17,19,20).
What are the key properties of N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide?
N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 162664639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).