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

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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).