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

C11H21N7O2S — CID 80773807

IUPAC2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCNc1nc(NCCS(N)(=O)=O)nc(N2CCCCC2)n1
InChIInChI=1S/C11H21N7O2S/c1-13-9-15-10(14-5-8-21(12,19)20)17-11(16-9)18-6-3-2-4-7-18/h2-8H2,1H3,(H2,12,19,20)(H2,13,14,15,16,17)
InChIKeyRYMVGWPEBXUHLY-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.40
Rot. Bonds6

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

2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide (PubChem CID 80773807) has the molecular formula C11H21N7O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
PubChem CID80773807
Molecular FormulaC11H21N7O2S
Molecular Weight315.40 g/mol
Exact Mass315.15
IUPAC Name2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
SMILESCNc1nc(NCCS(N)(=O)=O)nc(N2CCCCC2)n1
InChIInChI=1S/C11H21N7O2S/c1-13-9-15-10(14-5-8-21(12,19)20)17-11(16-9)18-6-3-2-4-7-18/h2-8H2,1H3,(H2,12,19,20)(H2,13,14,15,16,17)
InChIKeyRYMVGWPEBXUHLY-UHFFFAOYSA-N
XLogP-0.40
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide with MolForge

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Related Compounds

3-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
CID 80900517
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769896
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241670
2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80786835
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772736
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide (CID 80773807) is 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide is CNc1nc(NCCS(N)(=O)=O)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
The InChIKey is RYMVGWPEBXUHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O2S/c1-13-9-15-10(14-5-8-21(12,19)20)17-11(16-9)18-6-3-2-4-7-18/h2-8H2,1H3,(H2,12,19,20)(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide?
2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide has a molecular weight of 315.40 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 80773807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).