4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine

C10H15ClN4O3S — CID 89249817

IUPAC4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)C(C)OC(C)Nc1nc(C)nc(Cl)n1
InChIInChI=1S/C10H15ClN4O3S/c1-5-19(16,17)8(4)18-7(3)14-10-13-6(2)12-9(11)15-10/h5,7-8H,1H2,2-4H3,(H,12,13,14,15)
InChIKeySBEIGGQYGCTCKA-UHFFFAOYSA-N
MW306.78 g/mol
LogP1.51
Rot. Bonds6

About 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine

4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 89249817) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID89249817
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESC=CS(=O)(=O)C(C)OC(C)Nc1nc(C)nc(Cl)n1
InChIInChI=1S/C10H15ClN4O3S/c1-5-19(16,17)8(4)18-7(3)14-10-13-6(2)12-9(11)15-10/h5,7-8H,1H2,2-4H3,(H,12,13,14,15)
InChIKeySBEIGGQYGCTCKA-UHFFFAOYSA-N
XLogP1.51
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethenylsulfonylethyl)-4-fluoro-6-methyl-1,3,5-triazin-2-amine
CID 21303869
N-[2-(2-ethenylsulfonylethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
CID 23532474
N-[2-(ethenylsulfonylmethoxy)ethyl]-4-fluoro-6-methyl-1,3,5-triazin-2-amine
CID 54187348
N-[1-(1-ethenylsulfonylethoxy)ethyl]-4-fluoro-N,6-dimethyl-1,3,5-triazin-2-amine
CID 89127788
4-chloro-N-[2-(2-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
CID 20792598
2-[2-[(4-Chloro-6-methyl-1,3,5-triazin-2-yl)amino]ethylsulfonyl]ethyl methyl sulfate
CID 20792599
N-(2-ethenylsulfonylethyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 21303860
2-[2-[(4-Chloro-6-methyl-1,3,5-triazin-2-yl)amino]ethylsulfonyl]ethyl hydrogen sulfate
CID 23405192

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine (CID 89249817) is 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine is C=CS(=O)(=O)C(C)OC(C)Nc1nc(C)nc(Cl)n1.
What is the InChIKey of 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is SBEIGGQYGCTCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-5-19(16,17)8(4)18-7(3)14-10-13-6(2)12-9(11)15-10/h5,7-8H,1H2,2-4H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 306.78 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-ethenylsulfonylethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 89249817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).