2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine

C13H24N4O3S — CID 104710716

IUPAC2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1S(=O)(=O)c1ccnn1C
InChIInChI=1S/C13H24N4O3S/c1-16-13(6-7-15-16)21(18,19)17-9-4-3-5-12(17)11-14-8-10-20-2/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyDGFJLYDKSAASBL-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.20
Rot. Bonds7

About 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine (PubChem CID 104710716) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
PubChem CID104710716
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1S(=O)(=O)c1ccnn1C
InChIInChI=1S/C13H24N4O3S/c1-16-13(6-7-15-16)21(18,19)17-9-4-3-5-12(17)11-14-8-10-20-2/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyDGFJLYDKSAASBL-UHFFFAOYSA-N
XLogP0.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 96468030
1-isopropyl-N-[rac-(3R,4R)-4-pyrrolidin-1-yltetrahydrofuran-3-yl]-1H-pyrazole-5-sulfonamide
CID 122556012
1-ethyl-N-{[1-(morpholin-4-ylmethyl)cyclopropyl]methyl}-1H-pyrazole-5-sulfonamide
CID 122557036
1-ethyl-N-[rac-(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 122569468
1-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]piperazine hydrochloride
CID 122571880
N-[(3S)-1-acetylpiperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 125442551
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 129611920
N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-propylpyrazole-3-sulfonamide
CID 129619182
2,2-dimethyl-4-[(1-propyl-1H-pyrazol-5-yl)sulfonyl]morpholine
CID 129621473
N-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 164629019
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-propylpyrazole-3-sulfonamide
CID 164639283
2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 104709473

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine (CID 104710716) is 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine is COCCNCC1CCCCN1S(=O)(=O)c1ccnn1C.
What is the InChIKey of 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The InChIKey is DGFJLYDKSAASBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-16-13(6-7-15-16)21(18,19)17-9-4-3-5-12(17)11-14-8-10-20-2/h6-7,12,14H,3-5,8-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine has a molecular weight of 316.43 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 104710716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).