N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide

C10H20N6O2S — CID 121137839

IUPACN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O2S/c1-6-19(17,18)11-7-8-12-9(15(2)3)14-10(13-8)16(4)5/h11H,6-7H2,1-5H3
InChIKeyUXBBYDRBIJKQGP-UHFFFAOYSA-N
MW288.38 g/mol
LogP-0.56
Rot. Bonds6

About N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide (PubChem CID 121137839) has the molecular formula C10H20N6O2S and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide
PubChem CID121137839
Molecular FormulaC10H20N6O2S
Molecular Weight288.38 g/mol
Exact Mass288.14
IUPAC NameN-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O2S/c1-6-19(17,18)11-7-8-12-9(15(2)3)14-10(13-8)16(4)5/h11H,6-7H2,1-5H3
InChIKeyUXBBYDRBIJKQGP-UHFFFAOYSA-N
XLogP-0.56
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide (CID 121137839) is N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide?
The InChIKey is UXBBYDRBIJKQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2S/c1-6-19(17,18)11-7-8-12-9(15(2)3)14-10(13-8)16(4)5/h11H,6-7H2,1-5H3.
What are the key properties of N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide?
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide has a molecular weight of 288.38 g/mol, XLogP of -0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 121137839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).