N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide

C15H25N3O3S — CID 95107295

IUPACN-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1CCN(Cc2ccc(OCC)nc2)C1
InChIInChI=1S/C15H25N3O3S/c1-3-9-22(19,20)17-14-7-8-18(12-14)11-13-5-6-15(16-10-13)21-4-2/h5-6,10,14,17H,3-4,7-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyOCCZNCBPGQEPNJ-AWEZNQCLSA-N
MW327.45 g/mol
LogP1.38
Rot. Bonds8

About N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide

N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide (PubChem CID 95107295) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
PubChem CID95107295
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@H]1CCN(Cc2ccc(OCC)nc2)C1
InChIInChI=1S/C15H25N3O3S/c1-3-9-22(19,20)17-14-7-8-18(12-14)11-13-5-6-15(16-10-13)21-4-2/h5-6,10,14,17H,3-4,7-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyOCCZNCBPGQEPNJ-AWEZNQCLSA-N
XLogP1.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 95107248
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239
N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 95107251
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 95107286
N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 95107314
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
1-ethyl-N-[(3R)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95107321
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-(disulfanyl)-4-[(6-ethoxy-3-pyridinyl)methyl]piperazine
CID 138603801
N-ethyl-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 62994803
(3S,4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 77081255

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide (CID 95107295) is N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@H]1CCN(Cc2ccc(OCC)nc2)C1.
What is the InChIKey of N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide?
The InChIKey is OCCZNCBPGQEPNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-3-9-22(19,20)17-14-7-8-18(12-14)11-13-5-6-15(16-10-13)21-4-2/h5-6,10,14,17H,3-4,7-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide?
N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide has a molecular weight of 327.45 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 95107295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).