(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide

C13H21N3O4S — CID 129425283

IUPAC(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide
SMILESCOCCN(C)S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C13H21N3O4S/c1-15(8-9-19-2)21(17,18)16-7-5-13(11-16)20-12-4-3-6-14-10-12/h3-4,6,10,13H,5,7-9,11H2,1-2H3/t13-/m1/s1
InChIKeyLGOHQACEYLOWGI-CYBMUJFWSA-N
MW315.39 g/mol
LogP0.36
Rot. Bonds7

About (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide

(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide (PubChem CID 129425283) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide
PubChem CID129425283
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide
SMILESCOCCN(C)S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C13H21N3O4S/c1-15(8-9-19-2)21(17,18)16-7-5-13(11-16)20-12-4-3-6-14-10-12/h3-4,6,10,13H,5,7-9,11H2,1-2H3/t13-/m1/s1
InChIKeyLGOHQACEYLOWGI-CYBMUJFWSA-N
XLogP0.36
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128970089
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 75495313
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
7-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 128998759

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide (CID 129425283) is (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide is COCCN(C)S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide?
The InChIKey is LGOHQACEYLOWGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15(8-9-19-2)21(17,18)16-7-5-13(11-16)20-12-4-3-6-14-10-12/h3-4,6,10,13H,5,7-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide?
(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide is sourced from PubChem (CID 129425283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).