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

C9H18N6O3S — CID 80787478

IUPAC2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCCCOc1nc(NC)nc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C9H18N6O3S/c1-3-5-18-9-14-7(11-2)13-8(15-9)12-4-6-19(10,16)17/h3-6H2,1-2H3,(H2,10,16,17)(H2,11,12,13,14,15)
InChIKeyHXCWZHLUTPTONC-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.60
Rot. Bonds8

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

2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide (PubChem CID 80787478) has the molecular formula C9H18N6O3S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
PubChem CID80787478
Molecular FormulaC9H18N6O3S
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC Name2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCCCOc1nc(NC)nc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C9H18N6O3S/c1-3-5-18-9-14-7(11-2)13-8(15-9)12-4-6-19(10,16)17/h3-6H2,1-2H3,(H2,10,16,17)(H2,11,12,13,14,15)
InChIKeyHXCWZHLUTPTONC-UHFFFAOYSA-N
XLogP-0.60
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 106343315
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
CID 62862604
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-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80773807
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide (CID 80787478) is 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide is CCCOc1nc(NC)nc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The InChIKey is HXCWZHLUTPTONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3S/c1-3-5-18-9-14-7(11-2)13-8(15-9)12-4-6-19(10,16)17/h3-6H2,1-2H3,(H2,10,16,17)(H2,11,12,13,14,15).
What are the key properties of 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of -0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 80787478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).