(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone

C14H26N2O4S — CID 114680203

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C14H26N2O4S/c1-3-9-21(19,20)16-7-4-5-12(16)14(18)15-8-6-13(17)11(2)10-15/h11-13,17H,3-10H2,1-2H3
InChIKeyCEEMAZSKRXILJD-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.42
Rot. Bonds4

About (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone

(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 114680203) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
PubChem CID114680203
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C14H26N2O4S/c1-3-9-21(19,20)16-7-4-5-12(16)14(18)15-8-6-13(17)11(2)10-15/h11-13,17H,3-10H2,1-2H3
InChIKeyCEEMAZSKRXILJD-UHFFFAOYSA-N
XLogP0.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55563956
(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488511
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
N,N-diethyl-2-[4-(1-propylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55447192
(2S,3R)-2-methyl-1-propylsulfonylpyrrolidin-3-ol
CID 130610281
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294
N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55992321
[2-(4-fluorophenyl)morpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
CID 55996837
(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone
CID 55996730

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone (CID 114680203) is (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone is CCCS(=O)(=O)N1CCCC1C(=O)N1CCC(O)C(C)C1.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is CEEMAZSKRXILJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-9-21(19,20)16-7-4-5-12(16)14(18)15-8-6-13(17)11(2)10-15/h11-13,17H,3-10H2,1-2H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 318.44 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 114680203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).