(3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol

C13H25N3O5S — CID 124946623

IUPAC(3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(N1CCOCC1)N1CC[C@](O)(CN2CCOCC2)C1
InChIInChI=1S/C13H25N3O5S/c17-13(11-14-3-7-20-8-4-14)1-2-16(12-13)22(18,19)15-5-9-21-10-6-15/h17H,1-12H2/t13-/m0/s1
InChIKeyBZMGEAHFLASNQZ-ZDUSSCGKSA-N
MW335.43 g/mol
LogP-1.67
Rot. Bonds4

About (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol

(3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol (PubChem CID 124946623) has the molecular formula C13H25N3O5S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
PubChem CID124946623
Molecular FormulaC13H25N3O5S
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Name(3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(N1CCOCC1)N1CC[C@](O)(CN2CCOCC2)C1
InChIInChI=1S/C13H25N3O5S/c17-13(11-14-3-7-20-8-4-14)1-2-16(12-13)22(18,19)15-5-9-21-10-6-15/h17H,1-12H2/t13-/m0/s1
InChIKeyBZMGEAHFLASNQZ-ZDUSSCGKSA-N
XLogP-1.67
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 124992631
4-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 124977540
(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide
CID 124975025
2-cyclopentyl-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007806
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125011164
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 55515697
4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide
CID 107161272
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
3-[(4,4-difluoropiperidin-1-yl)methyl]-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 110097929
4-[(4S)-4-hydroxy-4-(morpholin-4-ylmethyl)azepan-1-yl]-4-oxobutanamide
CID 124971416
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol (CID 124946623) is (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol is O=S(=O)(N1CCOCC1)N1CC[C@](O)(CN2CCOCC2)C1.
What is the InChIKey of (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol?
The InChIKey is BZMGEAHFLASNQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25N3O5S/c17-13(11-14-3-7-20-8-4-14)1-2-16(12-13)22(18,19)15-5-9-21-10-6-15/h17H,1-12H2/t13-/m0/s1.
What are the key properties of (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol?
(3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol has a molecular weight of 335.43 g/mol, XLogP of -1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(morpholin-4-ylmethyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 124946623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).