4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine

C15H18N2O3S2 — CID 97392032

IUPAC4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
SMILESCO[C@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1ccncc1
InChIInChI=1S/C15H18N2O3S2/c1-20-14-6-9-17(22(18,19)15-3-2-10-21-15)13(14)11-12-4-7-16-8-5-12/h2-5,7-8,10,13-14H,6,9,11H2,1H3/t13-,14-/m0/s1
InChIKeyBRZKUZKSEPFRAY-KBPBESRZSA-N
MW338.45 g/mol
LogP2.16
Rot. Bonds5

About 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine

4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine (PubChem CID 97392032) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
PubChem CID97392032
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
SMILESCO[C@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1ccncc1
InChIInChI=1S/C15H18N2O3S2/c1-20-14-6-9-17(22(18,19)15-3-2-10-21-15)13(14)11-12-4-7-16-8-5-12/h2-5,7-8,10,13-14H,6,9,11H2,1H3/t13-,14-/m0/s1
InChIKeyBRZKUZKSEPFRAY-KBPBESRZSA-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-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 97391882
(2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97391922
1-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 97470211
4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
CID 97470361
3-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 97470550
3-[[(2S,3S)-3-(2-methoxyethoxy)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
CID 97470571
3-[[(2S,3S)-3-(2-methoxyethoxy)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
CID 97470573
(2S,3S)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470785
4-[[(2S,3S)-1-ethylsulfonyl-3-methoxypyrrolidin-2-yl]methyl]pyridine
CID 97470819
N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118747068
N-methyl-N-(pyridin-4-ylmethyl)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118747230
CID 134790056
CID 134790056

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The IUPAC name of 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine (CID 97392032) is 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The canonical SMILES for 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine is CO[C@H]1CCN(S(=O)(=O)c2cccs2)[C@H]1Cc1ccncc1.
What is the InChIKey of 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The InChIKey is BRZKUZKSEPFRAY-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-20-14-6-9-17(22(18,19)15-3-2-10-21-15)13(14)11-12-4-7-16-8-5-12/h2-5,7-8,10,13-14H,6,9,11H2,1H3/t13-,14-/m0/s1.
What are the key properties of 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine?
4-[[(2S,3S)-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 4-[[(2S,3S)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine is sourced from PubChem (CID 97392032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).