[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol

C15H29N3O4S — CID 72940984

IUPAC[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(N1CCCC1)N1C[C@@H](CN2CCOCC2)C[C@H](CO)C1
InChIInChI=1S/C15H29N3O4S/c19-13-15-9-14(10-16-5-7-22-8-6-16)11-18(12-15)23(20,21)17-3-1-2-4-17/h14-15,19H,1-13H2/t14-,15+/m1/s1
InChIKeyQEMKHTFIIVHMEG-CABCVRRESA-N
MW347.48 g/mol
LogP-0.41
Rot. Bonds5

About [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol

[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol (PubChem CID 72940984) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol
PubChem CID72940984
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Name[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(N1CCCC1)N1C[C@@H](CN2CCOCC2)C[C@H](CO)C1
InChIInChI=1S/C15H29N3O4S/c19-13-15-9-14(10-16-5-7-22-8-6-16)11-18(12-15)23(20,21)17-3-1-2-4-17/h14-15,19H,1-13H2/t14-,15+/m1/s1
InChIKeyQEMKHTFIIVHMEG-CABCVRRESA-N
XLogP-0.41
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol with MolForge

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Related Compounds

1-[3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-methylsulfonylpropan-1-one
CID 156603588
[(3S,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 154899111
4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine
CID 124624656
4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine
CID 130531605
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 72841875
2,3-dihydro-1H-inden-5-yl-[(3R,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 133111199
(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 110108224
1-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 156603230
[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 91940167
3-(morpholin-4-ylmethyl)cyclopentane-1-carboxylic acid
CID 83821302

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol (CID 72940984) is [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol is O=S(=O)(N1CCCC1)N1C[C@@H](CN2CCOCC2)C[C@H](CO)C1.
What is the InChIKey of [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol?
The InChIKey is QEMKHTFIIVHMEG-CABCVRRESA-N. The full InChI is InChI=1S/C15H29N3O4S/c19-13-15-9-14(10-16-5-7-22-8-6-16)11-18(12-15)23(20,21)17-3-1-2-4-17/h14-15,19H,1-13H2/t14-,15+/m1/s1.
What are the key properties of [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol?
[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol has a molecular weight of 347.48 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 72940984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).