3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine

C17H24N2O3S — CID 124779864

IUPAC3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine
SMILESO=S(=O)(C1CC1)N1CC[C@@H](OCC2CC2)[C@H]1Cc1cccnc1
InChIInChI=1S/C17H24N2O3S/c20-23(21,15-5-6-15)19-9-7-17(22-12-13-3-4-13)16(19)10-14-2-1-8-18-11-14/h1-2,8,11,13,15-17H,3-7,9-10,12H2/t16-,17-/m1/s1
InChIKeyTVJHSQDKHVLBQJ-IAGOWNOFSA-N
MW336.46 g/mol
LogP1.99
Rot. Bonds7

About 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine

3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine (PubChem CID 124779864) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine
PubChem CID124779864
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine
SMILESO=S(=O)(C1CC1)N1CC[C@@H](OCC2CC2)[C@H]1Cc1cccnc1
InChIInChI=1S/C17H24N2O3S/c20-23(21,15-5-6-15)19-9-7-17(22-12-13-3-4-13)16(19)10-14-2-1-8-18-11-14/h1-2,8,11,13,15-17H,3-7,9-10,12H2/t16-,17-/m1/s1
InChIKeyTVJHSQDKHVLBQJ-IAGOWNOFSA-N
XLogP1.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124793722
3-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]pyridine
CID 97384213
(2S,3S)-N-cyclopropyl-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97470631
3-[[(2S,3S)-3-(cyclopropylmethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]pyridine
CID 131640472
(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine
CID 97391960
3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 97391882
(2S,3R)-N,N-dimethyl-1-methylsulfonyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 97392082
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97470402
[(3R,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124793902

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The IUPAC name of 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine (CID 124779864) is 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The canonical SMILES for 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine is O=S(=O)(C1CC1)N1CC[C@@H](OCC2CC2)[C@H]1Cc1cccnc1.
What is the InChIKey of 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine?
The InChIKey is TVJHSQDKHVLBQJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-23(21,15-5-6-15)19-9-7-17(22-12-13-3-4-13)16(19)10-14-2-1-8-18-11-14/h1-2,8,11,13,15-17H,3-7,9-10,12H2/t16-,17-/m1/s1.
What are the key properties of 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine?
3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine has a molecular weight of 336.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine is sourced from PubChem (CID 124779864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).