(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol

C12H23N3O4S — CID 110108224

IUPAC(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(N1CCCC1)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C12H23N3O4S/c16-12-10-15(20(17,18)14-3-1-2-4-14)9-11(12)13-5-7-19-8-6-13/h11-12,16H,1-10H2/t11-,12-/m1/s1
InChIKeyVURMLHWIWFRMLS-VXGBXAGGSA-N
MW305.40 g/mol
LogP-1.30
Rot. Bonds3

About (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol

(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol (PubChem CID 110108224) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
PubChem CID110108224
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(N1CCCC1)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C12H23N3O4S/c16-12-10-15(20(17,18)14-3-1-2-4-14)9-11(12)13-5-7-19-8-6-13/h11-12,16H,1-10H2/t11-,12-/m1/s1
InChIKeyVURMLHWIWFRMLS-VXGBXAGGSA-N
XLogP-1.30
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-morpholin-4-ylsulfonyl-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 110131898
1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
CID 67536684
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 131903256
[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol
CID 72940984
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
(3S,4S)-4-morpholin-4-yl-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 72905929
(3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
CID 131906993
(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 79031701
5-(azepan-1-ylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211620
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol (CID 110108224) is (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol is O=S(=O)(N1CCCC1)N1C[C@@H](O)[C@H](N2CCOCC2)C1.
What is the InChIKey of (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The InChIKey is VURMLHWIWFRMLS-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23N3O4S/c16-12-10-15(20(17,18)14-3-1-2-4-14)9-11(12)13-5-7-19-8-6-13/h11-12,16H,1-10H2/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol has a molecular weight of 305.40 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 110108224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).