4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine

C16H31N3O3S — CID 124624656

IUPAC4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine
SMILESO=S(=O)(CCN1CCCC1)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C16H31N3O3S/c20-23(21,13-10-17-5-1-2-6-17)19-7-3-4-16(15-19)14-18-8-11-22-12-9-18/h16H,1-15H2/t16-/m1/s1
InChIKeyGZGKQVINTWZDMX-MRXNPFEDSA-N
MW345.51 g/mol
LogP0.46
Rot. Bonds6

About 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine

4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine (PubChem CID 124624656) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine
PubChem CID124624656
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine
SMILESO=S(=O)(CCN1CCCC1)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C16H31N3O3S/c20-23(21,13-10-17-5-1-2-6-17)19-7-3-4-16(15-19)14-18-8-11-22-12-9-18/h16H,1-15H2/t16-/m1/s1
InChIKeyGZGKQVINTWZDMX-MRXNPFEDSA-N
XLogP0.46
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol
CID 72940984
1-(2-chloroethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79622215
4-(cyclohexylmethyl)morpholine
CID 641545
3-methyl-6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonyl-1,3-benzothiazol-2-one
CID 51587910
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
2-ethyl-5-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 136581701
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine (CID 124624656) is 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine is O=S(=O)(CCN1CCCC1)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine?
The InChIKey is GZGKQVINTWZDMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H31N3O3S/c20-23(21,13-10-17-5-1-2-6-17)19-7-3-4-16(15-19)14-18-8-11-22-12-9-18/h16H,1-15H2/t16-/m1/s1.
What are the key properties of 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine?
4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine has a molecular weight of 345.51 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 124624656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).