2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide

C11H19N5O2S — CID 83022830

IUPAC2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NN2CCCCC2)cn1
InChIInChI=1S/C11H19N5O2S/c1-2-12-11-13-8-10(9-14-11)19(17,18)15-16-6-4-3-5-7-16/h8-9,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyLHQJBWRXBJKCAV-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.59
Rot. Bonds5

About 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide

2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide (PubChem CID 83022830) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide
PubChem CID83022830
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NN2CCCCC2)cn1
InChIInChI=1S/C11H19N5O2S/c1-2-12-11-13-8-10(9-14-11)19(17,18)15-16-6-4-3-5-7-16/h8-9,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyLHQJBWRXBJKCAV-UHFFFAOYSA-N
XLogP0.59
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide (CID 83022830) is 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NN2CCCCC2)cn1.
What is the InChIKey of 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide?
The InChIKey is LHQJBWRXBJKCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-2-12-11-13-8-10(9-14-11)19(17,18)15-16-6-4-3-5-7-16/h8-9,15H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide?
2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 83022830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).