N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine

C15H25N3O2S — CID 104691705

IUPACN-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine
SMILESCCNc1ccncc1S(=O)(=O)N1CCCCCC1CC
InChIInChI=1S/C15H25N3O2S/c1-3-13-8-6-5-7-11-18(13)21(19,20)15-12-16-10-9-14(15)17-4-2/h9-10,12-13H,3-8,11H2,1-2H3,(H,16,17)
InChIKeyHNDULQJRKAXPJJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.86
Rot. Bonds5

About N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine

N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine (PubChem CID 104691705) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine
PubChem CID104691705
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine
SMILESCCNc1ccncc1S(=O)(=O)N1CCCCCC1CC
InChIInChI=1S/C15H25N3O2S/c1-3-13-8-6-5-7-11-18(13)21(19,20)15-12-16-10-9-14(15)17-4-2/h9-10,12-13H,3-8,11H2,1-2H3,(H,16,17)
InChIKeyHNDULQJRKAXPJJ-UHFFFAOYSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine?
The IUPAC name of N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine (CID 104691705) is N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine.
What is the SMILES notation for N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine?
The canonical SMILES for N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine is CCNc1ccncc1S(=O)(=O)N1CCCCCC1CC.
What is the InChIKey of N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine?
The InChIKey is HNDULQJRKAXPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-13-8-6-5-7-11-18(13)21(19,20)15-12-16-10-9-14(15)17-4-2/h9-10,12-13H,3-8,11H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine?
N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine is sourced from PubChem (CID 104691705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).