3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine

C15H18N2O3S2 — CID 97391882

IUPAC3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
SMILESCO[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1cccnc1
InChIInChI=1S/C15H18N2O3S2/c1-20-14-6-8-17(22(18,19)15-5-3-9-21-15)13(14)10-12-4-2-7-16-11-12/h2-5,7,9,11,13-14H,6,8,10H2,1H3/t13-,14+/m0/s1
InChIKeyDYLNNHLGSRDEEC-UONOGXRCSA-N
MW338.45 g/mol
LogP2.16
Rot. Bonds5

About 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine

3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine (PubChem CID 97391882) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
PubChem CID97391882
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
SMILESCO[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1cccnc1
InChIInChI=1S/C15H18N2O3S2/c1-20-14-6-8-17(22(18,19)15-5-3-9-21-15)13(14)10-12-4-2-7-16-11-12/h2-5,7,9,11,13-14H,6,8,10H2,1H3/t13-,14+/m0/s1
InChIKeyDYLNNHLGSRDEEC-UONOGXRCSA-N
XLogP2.16
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R,3R)-1-cyclopropylsulfonyl-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 124797335
3-[[(2S,3S)-1-cyclopropylsulfonyl-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 97470594
(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470418
3-[[(2R,3R)-3-methoxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridine
CID 124817739
3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 124779864
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine
CID 97391960
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97384327
(2S,3R)-N,N-dimethyl-1-methylsulfonyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 97392082
4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
CID 97470361
2-(3-fluorophenyl)-1-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 97391881
N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118880

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The IUPAC name of 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine (CID 97391882) is 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The canonical SMILES for 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine is CO[C@@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1cccnc1.
What is the InChIKey of 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The InChIKey is DYLNNHLGSRDEEC-UONOGXRCSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-20-14-6-8-17(22(18,19)15-5-3-9-21-15)13(14)10-12-4-2-7-16-11-12/h2-5,7,9,11,13-14H,6,8,10H2,1H3/t13-,14+/m0/s1.
What are the key properties of 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine?
3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine has a molecular weight of 338.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine is sourced from PubChem (CID 97391882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).