N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide

C7H14N6O3S — CID 80787981

IUPACN-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCOc1nc(N)nc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C7H14N6O3S/c1-16-7-12-5(8)11-6(13-7)9-3-4-10-17(2,14)15/h10H,3-4H2,1-2H3,(H3,8,9,11,12,13)
InChIKeyZPAHPUFXSDQYQB-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.58
Rot. Bonds6

About N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 80787981) has the molecular formula C7H14N6O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
PubChem CID80787981
Molecular FormulaC7H14N6O3S
Molecular Weight262.29 g/mol
Exact Mass262.08
IUPAC NameN-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
SMILESCOc1nc(N)nc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C7H14N6O3S/c1-16-7-12-5(8)11-6(13-7)9-3-4-10-17(2,14)15/h10H,3-4H2,1-2H3,(H3,8,9,11,12,13)
InChIKeyZPAHPUFXSDQYQB-UHFFFAOYSA-N
XLogP-1.58
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide with MolForge

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Related Compounds

6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80849425
N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide
CID 106332291
6-methoxy-2-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772368
6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 80839887
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 62870440
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808
4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 80903842
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113411167
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80787221
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide (CID 80787981) is N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide is COc1nc(N)nc(NCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is ZPAHPUFXSDQYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O3S/c1-16-7-12-5(8)11-6(13-7)9-3-4-10-17(2,14)15/h10H,3-4H2,1-2H3,(H3,8,9,11,12,13).
What are the key properties of N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 262.29 g/mol, XLogP of -1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80787981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).