2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine

C14H23N3O2S2 — CID 103307678

IUPAC2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
SMILESCCCNc1cccnc1S(=O)(=O)N1CCSC(CC)C1
InChIInChI=1S/C14H23N3O2S2/c1-3-7-15-13-6-5-8-16-14(13)21(18,19)17-9-10-20-12(4-2)11-17/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3
InChIKeyVLYJAFIXPVWLRU-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.42
Rot. Bonds6

About 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine

2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine (PubChem CID 103307678) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
PubChem CID103307678
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
SMILESCCCNc1cccnc1S(=O)(=O)N1CCSC(CC)C1
InChIInChI=1S/C14H23N3O2S2/c1-3-7-15-13-6-5-8-16-14(13)21(18,19)17-9-10-20-12(4-2)11-17/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3
InChIKeyVLYJAFIXPVWLRU-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303754
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
CID 103305498
2-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103305844
4-methyl-1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-4-ol
CID 103306620
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine
CID 103304816
2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103306947
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103307176
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
methyl 2-(2-ethylthiomorpholin-4-yl)sulfonylbenzoate
CID 103698292

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine (CID 103307678) is 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine is CCCNc1cccnc1S(=O)(=O)N1CCSC(CC)C1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine?
The InChIKey is VLYJAFIXPVWLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-3-7-15-13-6-5-8-16-14(13)21(18,19)17-9-10-20-12(4-2)11-17/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3.
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine?
2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine has a molecular weight of 329.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)sulfonyl-N-propylpyridin-3-amine is sourced from PubChem (CID 103307678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).