azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone

C19H27N3O3S — CID 99940561

IUPACazetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1)N1CCC1
InChIInChI=1S/C19H27N3O3S/c23-19(21-11-5-12-21)16-6-4-7-18(14-16)26(24,25)22-13-8-17(15-22)20-9-2-1-3-10-20/h4,6-7,14,17H,1-3,5,8-13,15H2/t17-/m0/s1
InChIKeyZIDYOXNGJOZRGC-KRWDZBQOSA-N
MW377.51 g/mol
LogP1.78
Rot. Bonds4

About azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone

azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone (PubChem CID 99940561) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
PubChem CID99940561
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Nameazetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1)N1CCC1
InChIInChI=1S/C19H27N3O3S/c23-19(21-11-5-12-21)16-6-4-7-18(14-16)26(24,25)22-13-8-17(15-22)20-9-2-1-3-10-20/h4,6-7,14,17H,1-3,5,8-13,15H2/t17-/m0/s1
InChIKeyZIDYOXNGJOZRGC-KRWDZBQOSA-N
XLogP1.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 60559117
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone
CID 99938997
N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238873
N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559058
4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 109063117
(4-phenylpiperidin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 24660134
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119638414
[3-(1-aminoethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119595891

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone?
The IUPAC name of azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone (CID 99940561) is azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone?
The canonical SMILES for azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone is O=C(c1cccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone?
The InChIKey is ZIDYOXNGJOZRGC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-19(21-11-5-12-21)16-6-4-7-18(14-16)26(24,25)22-13-8-17(15-22)20-9-2-1-3-10-20/h4,6-7,14,17H,1-3,5,8-13,15H2/t17-/m0/s1.
What are the key properties of azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone?
azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone has a molecular weight of 377.51 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone is sourced from PubChem (CID 99940561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).