[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

C17H29N3O3S — CID 142545227

IUPAC[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCN(S(=O)(=O)N2CC(C3CCC3)C2)C1)N1CCCC1
InChIInChI=1S/C17H29N3O3S/c21-17(18-8-1-2-9-18)15-7-4-10-19(11-15)24(22,23)20-12-16(13-20)14-5-3-6-14/h14-16H,1-13H2/t15-/m0/s1
InChIKeyKYVWLEHLLFPAPB-HNNXBMFYSA-N
MW355.50 g/mol
LogP1.30
Rot. Bonds4

About [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 142545227) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID142545227
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCN(S(=O)(=O)N2CC(C3CCC3)C2)C1)N1CCCC1
InChIInChI=1S/C17H29N3O3S/c21-17(18-8-1-2-9-18)15-7-4-10-19(11-15)24(22,23)20-12-16(13-20)14-5-3-6-14/h14-16H,1-13H2/t15-/m0/s1
InChIKeyKYVWLEHLLFPAPB-HNNXBMFYSA-N
XLogP1.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 55511986
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
piperidin-1-yl-(1-piperidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3564554
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 142545227) is [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CCCN(S(=O)(=O)N2CC(C3CCC3)C2)C1)N1CCCC1.
What is the InChIKey of [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KYVWLEHLLFPAPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c21-17(18-8-1-2-9-18)15-7-4-10-19(11-15)24(22,23)20-12-16(13-20)14-5-3-6-14/h14-16H,1-13H2/t15-/m0/s1.
What are the key properties of [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 355.50 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-cyclobutylazetidin-1-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142545227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).