1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone

C13H21N5O3S — CID 56802958

IUPAC1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CC(n3cccn3)C2)CC1
InChIInChI=1S/C13H21N5O3S/c1-22(20,21)17-7-5-16(6-8-17)13(19)11-15-9-12(10-15)18-4-2-3-14-18/h2-4,12H,5-11H2,1H3
InChIKeyULSOWUTVWZKOHH-UHFFFAOYSA-N
MW327.41 g/mol
LogP-1.16
Rot. Bonds4

About 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone

1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone (PubChem CID 56802958) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
PubChem CID56802958
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CC(n3cccn3)C2)CC1
InChIInChI=1S/C13H21N5O3S/c1-22(20,21)17-7-5-16(6-8-17)13(19)11-15-9-12(10-15)18-4-2-3-14-18/h2-4,12H,5-11H2,1H3
InChIKeyULSOWUTVWZKOHH-UHFFFAOYSA-N
XLogP-1.16
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-3-ol
CID 126900428
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103577107
1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
CID 43168616
N-methyl-1-methylsulfonyl-4-(2-pyrazol-1-ylacetyl)-1,4-diazepane-6-carboxamide
CID 127245373
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781241
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62546511
2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 79874632
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 17430046
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
CID 62656037
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781235
2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 56780744

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone (CID 56802958) is 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)CN2CC(n3cccn3)C2)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone?
The InChIKey is ULSOWUTVWZKOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-22(20,21)17-7-5-16(6-8-17)13(19)11-15-9-12(10-15)18-4-2-3-14-18/h2-4,12H,5-11H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone?
1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone has a molecular weight of 327.41 g/mol, XLogP of -1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 56802958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).