[3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

C16H22N6O2S — CID 174712747

IUPAC[3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCC1CCCCN1c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C16H22N6O2S/c1-12-5-2-3-8-22(12)16-19-11-18-15(21-16)20-14-7-4-6-13(9-14)10-25(17,23)24/h4,6-7,9,11-12H,2-3,5,8,10H2,1H3,(H2,17,23,24)(H,18,19,20,21)
InChIKeyALFYKUNIKLCEGJ-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.78
Rot. Bonds5

About [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

[3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 174712747) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
PubChem CID174712747
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name[3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCC1CCCCN1c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C16H22N6O2S/c1-12-5-2-3-8-22(12)16-19-11-18-15(21-16)20-14-7-4-6-13(9-14)10-25(17,23)24/h4,6-7,9,11-12H,2-3,5,8,10H2,1H3,(H2,17,23,24)(H,18,19,20,21)
InChIKeyALFYKUNIKLCEGJ-UHFFFAOYSA-N
XLogP1.78
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (CID 174712747) is [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is CC1CCCCN1c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1.
What is the InChIKey of [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is ALFYKUNIKLCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-12-5-2-3-8-22(12)16-19-11-18-15(21-16)20-14-7-4-6-13(9-14)10-25(17,23)24/h4,6-7,9,11-12H,2-3,5,8,10H2,1H3,(H2,17,23,24)(H,18,19,20,21).
What are the key properties of [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
[3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 174712747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).