N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine

C15H19N5O2S — CID 95828952

IUPACN-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESCNc1cncc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C15H19N5O2S/c1-16-15-11-18-10-14(19-15)12-4-7-20(8-5-12)23(21,22)13-3-2-6-17-9-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyRGVHSFCDHRKBKM-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.48
Rot. Bonds4

About N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine

N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 95828952) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
PubChem CID95828952
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
SMILESCNc1cncc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C15H19N5O2S/c1-16-15-11-18-10-14(19-15)12-4-7-20(8-5-12)23(21,22)13-3-2-6-17-9-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyRGVHSFCDHRKBKM-UHFFFAOYSA-N
XLogP1.48
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine (CID 95828952) is N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine is CNc1cncc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1.
What is the InChIKey of N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is RGVHSFCDHRKBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-16-15-11-18-10-14(19-15)12-4-7-20(8-5-12)23(21,22)13-3-2-6-17-9-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine?
N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 333.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 95828952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).