[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C14H20N2O3S2 — CID 125003549

IUPAC[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC1(c2nccs2)CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H20N2O3S2/c1-14(13-15-5-8-20-13)3-6-16(7-4-14)12(17)11-2-9-21(18,19)10-11/h5,8,11H,2-4,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeySSHYPEIVODIOAM-LLVKDONJSA-N
MW328.46 g/mol
LogP1.46
Rot. Bonds2

About [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 125003549) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID125003549
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC1(c2nccs2)CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H20N2O3S2/c1-14(13-15-5-8-20-13)3-6-16(7-4-14)12(17)11-2-9-21(18,19)10-11/h5,8,11H,2-4,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeySSHYPEIVODIOAM-LLVKDONJSA-N
XLogP1.46
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 107159946
1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114185
2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110114196
1-(1,1-dioxothiolane-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146844
[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168144
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
[(3R)-1,1-dioxothiolan-3-yl]-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 126428924
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1,3-benzodioxol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114223
[(3S)-1,1-dioxothiolan-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94474525
(1,1-dioxothiolan-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 56809428

Frequently Asked Questions

What is the IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 125003549) is [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC1(c2nccs2)CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is SSHYPEIVODIOAM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-14(13-15-5-8-20-13)3-6-16(7-4-14)12(17)11-2-9-21(18,19)10-11/h5,8,11H,2-4,6-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125003549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).