2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide

C11H23N7O2S — CID 106343509

IUPAC2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCCN(CC)c1nc(N)nc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H23N7O2S/c1-5-18(6-2)11-15-9(12)14-10(16-11)13-7-8-21(19,20)17(3)4/h5-8H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyXJBSQCMRLBXMQQ-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.40
Rot. Bonds8

About 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide

2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 106343509) has the molecular formula C11H23N7O2S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID106343509
Molecular FormulaC11H23N7O2S
Molecular Weight317.42 g/mol
Exact Mass317.16
IUPAC Name2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCCN(CC)c1nc(N)nc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H23N7O2S/c1-5-18(6-2)11-15-9(12)14-10(16-11)13-7-8-21(19,20)17(3)4/h5-8H2,1-4H3,(H3,12,13,14,15,16)
InChIKeyXJBSQCMRLBXMQQ-UHFFFAOYSA-N
XLogP-0.40
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide (CID 106343509) is 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide is CCN(CC)c1nc(N)nc(NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is XJBSQCMRLBXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7O2S/c1-5-18(6-2)11-15-9(12)14-10(16-11)13-7-8-21(19,20)17(3)4/h5-8H2,1-4H3,(H3,12,13,14,15,16).
What are the key properties of 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 317.42 g/mol, XLogP of -0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106343509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).