3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C16H20N2O5S — CID 121156772

IUPAC3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(CS(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)c1
InChIInChI=1S/C16H20N2O5S/c1-12-3-2-4-13(9-12)11-24(21,22)17-7-5-14(6-8-17)18-15(19)10-23-16(18)20/h2-4,9,14H,5-8,10-11H2,1H3
InChIKeyQMJOSUINTHTINC-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.27
Rot. Bonds4

About 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156772) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156772
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(CS(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)c1
InChIInChI=1S/C16H20N2O5S/c1-12-3-2-4-13(9-12)11-24(21,22)17-7-5-14(6-8-17)18-15(19)10-23-16(18)20/h2-4,9,14H,5-8,10-11H2,1H3
InChIKeyQMJOSUINTHTINC-UHFFFAOYSA-N
XLogP1.27
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156763
3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156580
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
1-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-4H-3,1-benzoxazin-2-one
CID 11486971
N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265543
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156792
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
3-methyl-6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridazine
CID 90559757
cyclopropyl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110797103
3-(furan-2-yl)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 110423868
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156772) is 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is Cc1cccc(CS(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)c1.
What is the InChIKey of 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is QMJOSUINTHTINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-12-3-2-4-13(9-12)11-24(21,22)17-7-5-14(6-8-17)18-15(19)10-23-16(18)20/h2-4,9,14H,5-8,10-11H2,1H3.
What are the key properties of 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 352.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).