2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide

C15H19N3O2S2 — CID 99875511

IUPAC2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)N[C@H]1CCN(c2nccs2)C1
InChIInChI=1S/C15H19N3O2S2/c19-22(20,11-7-13-4-2-1-3-5-13)17-14-6-9-18(12-14)15-16-8-10-21-15/h1-5,8,10,14,17H,6-7,9,11-12H2/t14-/m0/s1
InChIKeyGBEPNYZWSYYMDX-AWEZNQCLSA-N
MW337.47 g/mol
LogP1.88
Rot. Bonds6

About 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide

2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 99875511) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
PubChem CID99875511
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)N[C@H]1CCN(c2nccs2)C1
InChIInChI=1S/C15H19N3O2S2/c19-22(20,11-7-13-4-2-1-3-5-13)17-14-6-9-18(12-14)15-16-8-10-21-15/h1-5,8,10,14,17H,6-7,9,11-12H2/t14-/m0/s1
InChIKeyGBEPNYZWSYYMDX-AWEZNQCLSA-N
XLogP1.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide (CID 99875511) is 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)N[C@H]1CCN(c2nccs2)C1.
What is the InChIKey of 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is GBEPNYZWSYYMDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c19-22(20,11-7-13-4-2-1-3-5-13)17-14-6-9-18(12-14)15-16-8-10-21-15/h1-5,8,10,14,17H,6-7,9,11-12H2/t14-/m0/s1.
What are the key properties of 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide?
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 99875511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).