N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide

C11H21N3O3S — CID 113402662

IUPACN-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)C2CCNC2)CC1
InChIInChI=1S/C11H21N3O3S/c1-9(15)13-10-3-6-14(7-4-10)18(16,17)11-2-5-12-8-11/h10-12H,2-8H2,1H3,(H,13,15)
InChIKeySRTLLMZXGLYXAU-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.72
Rot. Bonds3

About N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide

N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide (PubChem CID 113402662) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide
PubChem CID113402662
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)C2CCNC2)CC1
InChIInChI=1S/C11H21N3O3S/c1-9(15)13-10-3-6-14(7-4-10)18(16,17)11-2-5-12-8-11/h10-12H,2-8H2,1H3,(H,13,15)
InChIKeySRTLLMZXGLYXAU-UHFFFAOYSA-N
XLogP-0.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine
CID 96509377
3-methyl-1-pyrrolidin-3-ylsulfonylpiperidin-4-ol
CID 114683822
9-methyl-3-pyrrolidin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170212
N,N-dimethyl-1-pyrrolidin-3-ylsulfonylpyrrolidin-3-amine
CID 65417688
1-ethyl-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1-pyrrolidin-3-ylurea
CID 167935622
3-(3,3-dimethylazetidin-1-yl)sulfonylpyrrolidine
CID 126990592
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
CID 81123219
N-cyclopropyl-4-pyrrolidin-3-ylsulfonylmorpholine-3-carboxamide
CID 83104809
(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine
CID 104961415
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458647

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide (CID 113402662) is N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide is CC(=O)NC1CCN(S(=O)(=O)C2CCNC2)CC1.
What is the InChIKey of N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is SRTLLMZXGLYXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-9(15)13-10-3-6-14(7-4-10)18(16,17)11-2-5-12-8-11/h10-12H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide?
N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 275.37 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 113402662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).