(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol

C11H16N2O3S — CID 79030740

IUPAC(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CCc1ccccn1)N1CC[C@H](O)C1
InChIInChI=1S/C11H16N2O3S/c14-11-4-7-13(9-11)17(15,16)8-5-10-3-1-2-6-12-10/h1-3,6,11,14H,4-5,7-9H2/t11-/m0/s1
InChIKeyCZZNSKNROPVENS-NSHDSACASA-N
MW256.33 g/mol
LogP0.02
Rot. Bonds4

About (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol

(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol (PubChem CID 79030740) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
PubChem CID79030740
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CCc1ccccn1)N1CC[C@H](O)C1
InChIInChI=1S/C11H16N2O3S/c14-11-4-7-13(9-11)17(15,16)8-5-10-3-1-2-6-12-10/h1-3,6,11,14H,4-5,7-9H2/t11-/m0/s1
InChIKeyCZZNSKNROPVENS-NSHDSACASA-N
XLogP0.02
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
CID 114960930
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
5-(2-pyridin-2-ylethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213179
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
2-[1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681749
(2R,4R)-4-hydroxy-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 79000801

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol (CID 79030740) is (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol is O=S(=O)(CCc1ccccn1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is CZZNSKNROPVENS-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-11-4-7-13(9-11)17(15,16)8-5-10-3-1-2-6-12-10/h1-3,6,11,14H,4-5,7-9H2/t11-/m0/s1.
What are the key properties of (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol?
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 256.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 79030740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).