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

C14H22N6O3S — CID 162662950

IUPACN-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide
SMILESCC1(C)N=C(N)N=C(N)N1OCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N6O3S/c1-14(2)19-12(15)18-13(16)20(14)23-10-6-9-17-24(21,22)11-7-4-3-5-8-11/h3-5,7-8,17H,6,9-10H2,1-2H3,(H4,15,16,18,19)
InChIKeyRSRBMAGKCYGHKE-UHFFFAOYSA-N
MW354.44 g/mol
LogP-0.03
Rot. Bonds7

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

N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide (PubChem CID 162662950) has the molecular formula C14H22N6O3S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide
PubChem CID162662950
Molecular FormulaC14H22N6O3S
Molecular Weight354.44 g/mol
Exact Mass354.15
IUPAC NameN-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide
SMILESCC1(C)N=C(N)N=C(N)N1OCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H22N6O3S/c1-14(2)19-12(15)18-13(16)20(14)23-10-6-9-17-24(21,22)11-7-4-3-5-8-11/h3-5,7-8,17H,6,9-10H2,1-2H3,(H4,15,16,18,19)
InChIKeyRSRBMAGKCYGHKE-UHFFFAOYSA-N
XLogP-0.03
TPSA135.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 5-0.03
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]-4-methylbenzenesulfonamide
CID 162664639
1-[3-(2,6-dimethoxyphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44523074
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
6,6-dimethyl-1-(4-phenylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134120413
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 169375961
N-tridecylbenzenesulfonamide
CID 3514704
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide
CID 123390422
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-(4-bromobutyl)benzenesulfonamide
CID 106846700

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]benzenesulfonamide?
The IUPAC name of N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide (CID 162662950) is N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide is CC1(C)N=C(N)N=C(N)N1OCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide?
The InChIKey is RSRBMAGKCYGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3S/c1-14(2)19-12(15)18-13(16)20(14)23-10-6-9-17-24(21,22)11-7-4-3-5-8-11/h3-5,7-8,17H,6,9-10H2,1-2H3,(H4,15,16,18,19).
What are the key properties of N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide?
N-[3-[(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)oxy]propyl]benzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of -0.03, 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]benzenesulfonamide is sourced from PubChem (CID 162662950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).