2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide

C9H16N4O2S — CID 80787480

IUPAC2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide
SMILESCCNc1cccc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-2-11-8-4-3-5-9(13-8)12-6-7-16(10,14)15/h3-5H,2,6-7H2,1H3,(H2,10,14,15)(H2,11,12,13)
InChIKeyLVWKXWDNPGFSCO-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.21
Rot. Bonds6

About 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide

2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide (PubChem CID 80787480) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide
PubChem CID80787480
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide
SMILESCCNc1cccc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-2-11-8-4-3-5-9(13-8)12-6-7-16(10,14)15/h3-5H,2,6-7H2,1H3,(H2,10,14,15)(H2,11,12,13)
InChIKeyLVWKXWDNPGFSCO-UHFFFAOYSA-N
XLogP0.21
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80788132
2-N-ethyl-6-N-(2-fluoroethyl)pyridine-2,6-diamine
CID 130505047
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
CID 63961528
N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 106343460
2-[(5-amino-6-ethoxy-2-pyridinyl)amino]ethanesulfonamide
CID 43551624
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 80813274
2-[(6-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106343060
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
CID 80762611

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide (CID 80787480) is 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide is CCNc1cccc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide?
The InChIKey is LVWKXWDNPGFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-11-8-4-3-5-9(13-8)12-6-7-16(10,14)15/h3-5H,2,6-7H2,1H3,(H2,10,14,15)(H2,11,12,13).
What are the key properties of 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide?
2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide is sourced from PubChem (CID 80787480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).