N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine

C14H23N3O3S — CID 106588741

IUPACN-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
SMILESCCNc1ncccc1S(=O)(=O)N1CCCC(COC)C1
InChIInChI=1S/C14H23N3O3S/c1-3-15-14-13(7-4-8-16-14)21(18,19)17-9-5-6-12(10-17)11-20-2/h4,7-8,12H,3,5-6,9-11H2,1-2H3,(H,15,16)
InChIKeyDDMIKWCGSYZRDD-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.56
Rot. Bonds6

About N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine

N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 106588741) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
PubChem CID106588741
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
SMILESCCNc1ncccc1S(=O)(=O)N1CCCC(COC)C1
InChIInChI=1S/C14H23N3O3S/c1-3-15-14-13(7-4-8-16-14)21(18,19)17-9-5-6-12(10-17)11-20-2/h4,7-8,12H,3,5-6,9-11H2,1-2H3,(H,15,16)
InChIKeyDDMIKWCGSYZRDD-UHFFFAOYSA-N
XLogP1.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
3-(3-ethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 62146476
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605654
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
1-[2-(chloromethyl)phenyl]sulfonyl-3-(methoxymethyl)piperidine
CID 106589952
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
[1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62157239
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine (CID 106588741) is N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine is CCNc1ncccc1S(=O)(=O)N1CCCC(COC)C1.
What is the InChIKey of N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is DDMIKWCGSYZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-15-14-13(7-4-8-16-14)21(18,19)17-9-5-6-12(10-17)11-20-2/h4,7-8,12H,3,5-6,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine?
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 313.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 106588741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).