2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide

C12H22N4O3S — CID 106334326

IUPAC2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
SMILESCCCOc1nc(NCCS(=O)(=O)NCC)ccc1N
InChIInChI=1S/C12H22N4O3S/c1-3-8-19-12-10(13)5-6-11(16-12)14-7-9-20(17,18)15-4-2/h5-6,15H,3-4,7-9,13H2,1-2H3,(H,14,16)
InChIKeyJNNVPUJQPNMBOC-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.80
Rot. Bonds9

About 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide

2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide (PubChem CID 106334326) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
PubChem CID106334326
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
SMILESCCCOc1nc(NCCS(=O)(=O)NCC)ccc1N
InChIInChI=1S/C12H22N4O3S/c1-3-8-19-12-10(13)5-6-11(16-12)14-7-9-20(17,18)15-4-2/h5-6,15H,3-4,7-9,13H2,1-2H3,(H,14,16)
InChIKeyJNNVPUJQPNMBOC-UHFFFAOYSA-N
XLogP0.80
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide (CID 106334326) is 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide is CCCOc1nc(NCCS(=O)(=O)NCC)ccc1N.
What is the InChIKey of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The InChIKey is JNNVPUJQPNMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-3-8-19-12-10(13)5-6-11(16-12)14-7-9-20(17,18)15-4-2/h5-6,15H,3-4,7-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide?
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106334326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).