3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

C14H19ClN2O4S2 — CID 3458659

IUPAC3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H19ClN2O4S2/c1-14(2)9-21-13(18)17(14)10-5-7-16(8-6-10)23(19,20)12-4-3-11(15)22-12/h3-4,10H,5-9H2,1-2H3
InChIKeyFIRHJURRXYYHMK-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.79
Rot. Bonds3

About 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 3458659) has the molecular formula C14H19ClN2O4S2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID3458659
Molecular FormulaC14H19ClN2O4S2
Molecular Weight378.90 g/mol
Exact Mass378.05
IUPAC Name3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H19ClN2O4S2/c1-14(2)9-21-13(18)17(14)10-5-7-16(8-6-10)23(19,20)12-4-3-11(15)22-12/h3-4,10H,5-9H2,1-2H3
InChIKeyFIRHJURRXYYHMK-UHFFFAOYSA-N
XLogP2.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one
CID 45352473
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3776031
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268956
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083144
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123700
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 3458659) is 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is FIRHJURRXYYHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S2/c1-14(2)9-21-13(18)17(14)10-5-7-16(8-6-10)23(19,20)12-4-3-11(15)22-12/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 378.90 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3458659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).