(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol

C8H16N2O3S — CID 79031701

IUPAC(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(N1CCCC1)N1CC[C@H](O)C1
InChIInChI=1S/C8H16N2O3S/c11-8-3-6-10(7-8)14(12,13)9-4-1-2-5-9/h8,11H,1-7H2/t8-/m0/s1
InChIKeyIAZIOVFNBXZARD-QMMMGPOBSA-N
MW220.29 g/mol
LogP-0.61
Rot. Bonds2

About (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol

(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol (PubChem CID 79031701) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
PubChem CID79031701
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(N1CCCC1)N1CC[C@H](O)C1
InChIInChI=1S/C8H16N2O3S/c11-8-3-6-10(7-8)14(12,13)9-4-1-2-5-9/h8,11H,1-7H2/t8-/m0/s1
InChIKeyIAZIOVFNBXZARD-QMMMGPOBSA-N
XLogP-0.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-piperidin-1-ylsulfonylpyrrolidin-3-ol
CID 66291550
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 79031630
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
(3R)-1-cyclopropylsulfonylpyrrolidin-3-ol
CID 79030804
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
3-pyrrolidin-1-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989191
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol (CID 79031701) is (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol is O=S(=O)(N1CCCC1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The InChIKey is IAZIOVFNBXZARD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O3S/c11-8-3-6-10(7-8)14(12,13)9-4-1-2-5-9/h8,11H,1-7H2/t8-/m0/s1.
What are the key properties of (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol has a molecular weight of 220.29 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 79031701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).