[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

C15H24N4O3S — CID 51388772

IUPAC[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cnn1C
InChIInChI=1S/C15H24N4O3S/c1-12-14(10-16-17(12)2)23(21,22)19-9-5-6-13(11-19)15(20)18-7-3-4-8-18/h10,13H,3-9,11H2,1-2H3/t13-/m0/s1
InChIKeyAPUMXFRLASMSCX-ZDUSSCGKSA-N
MW340.45 g/mol
LogP0.75
Rot. Bonds3

About [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51388772) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID51388772
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cnn1C
InChIInChI=1S/C15H24N4O3S/c1-12-14(10-16-17(12)2)23(21,22)19-9-5-6-13(11-19)15(20)18-7-3-4-8-18/h10,13H,3-9,11H2,1-2H3/t13-/m0/s1
InChIKeyAPUMXFRLASMSCX-ZDUSSCGKSA-N
XLogP0.75
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1-Ethyl-5-methylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[5.5]undec-3-en-1-one
CID 110223833
8-(1-Ethyl-3-methylpyrazol-4-ylsulfonyl)-2,8-diazaspiro[5.5]undec-3-EN-1-one
CID 110223836
3-[1-(1-Ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1-methylazepan-2-one
CID 110261939
(4S)-4-amino-N-ethyl-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]-L-prolinamide
CID 56718288
(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 51388671
(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 51388816
(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388821
9-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-isopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72899373
{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
CID 19583831
[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 51571117
[(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 51571118
[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 124723470

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 51388772) is [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cnn1C.
What is the InChIKey of [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is APUMXFRLASMSCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12-14(10-16-17(12)2)23(21,22)19-9-5-6-13(11-19)15(20)18-7-3-4-8-18/h10,13H,3-9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 340.45 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51388772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).