[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone

C15H21N3O3S — CID 126428924

IUPAC[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cncnc1C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H21N3O3S/c1-11-8-16-10-17-14(11)12-2-5-18(6-3-12)15(19)13-4-7-22(20,21)9-13/h8,10,12-13H,2-7,9H2,1H3/t13-/m0/s1
InChIKeyVBGUWIGAVRHWKS-ZDUSSCGKSA-N
MW323.42 g/mol
LogP0.93
Rot. Bonds2

About [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone

[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 126428924) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID126428924
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1cncnc1C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H21N3O3S/c1-11-8-16-10-17-14(11)12-2-5-18(6-3-12)15(19)13-4-7-22(20,21)9-13/h8,10,12-13H,2-7,9H2,1H3/t13-/m0/s1
InChIKeyVBGUWIGAVRHWKS-ZDUSSCGKSA-N
XLogP0.93
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone 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

aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824390
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 118789382
[(3R)-1,1-dioxothiolan-3-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 124954485
[(3S)-1,1-dioxothiolan-3-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 126442770
[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168144
1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carbonitrile
CID 49063506
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029559
[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 129417782
[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125003549
7-[(3R)-1,1-dioxothiolane-3-carbonyl]-2,3-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 125158035

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 126428924) is [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1cncnc1C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is VBGUWIGAVRHWKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-8-16-10-17-14(11)12-2-5-18(6-3-12)15(19)13-4-7-22(20,21)9-13/h8,10,12-13H,2-7,9H2,1H3/t13-/m0/s1.
What are the key properties of [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 323.42 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126428924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).