N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide

C11H22N6O3S — CID 106343315

IUPACN-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCCCOc1nc(NC)nc(NCCS(=O)(=O)NCC)n1
InChIInChI=1S/C11H22N6O3S/c1-4-7-20-11-16-9(12-3)15-10(17-11)13-6-8-21(18,19)14-5-2/h14H,4-8H2,1-3H3,(H2,12,13,15,16,17)
InChIKeyRCLBMWAOVKQWSR-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.05
Rot. Bonds10

About N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide

N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide (PubChem CID 106343315) has the molecular formula C11H22N6O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
PubChem CID106343315
Molecular FormulaC11H22N6O3S
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC NameN-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCCCOc1nc(NC)nc(NCCS(=O)(=O)NCC)n1
InChIInChI=1S/C11H22N6O3S/c1-4-7-20-11-16-9(12-3)15-10(17-11)13-6-8-21(18,19)14-5-2/h14H,4-8H2,1-3H3,(H2,12,13,15,16,17)
InChIKeyRCLBMWAOVKQWSR-UHFFFAOYSA-N
XLogP0.05
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80787478
N-ethyl-2-[(4-propoxypyrimidin-2-yl)amino]ethanesulfonamide
CID 106338349
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80819069
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341615
N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
CID 106332444
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334326
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide (CID 106343315) is N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide is CCCOc1nc(NC)nc(NCCS(=O)(=O)NCC)n1.
What is the InChIKey of N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The InChIKey is RCLBMWAOVKQWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O3S/c1-4-7-20-11-16-9(12-3)15-10(17-11)13-6-8-21(18,19)14-5-2/h14H,4-8H2,1-3H3,(H2,12,13,15,16,17).
What are the key properties of N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 0.05, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).