3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one

C15H23N5O4S — CID 70735139

IUPAC3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1cnc(NCCN2CCOC2=O)nc1C1CCCNC1
InChIInChI=1S/C15H23N5O4S/c1-25(22,23)12-10-18-14(17-5-6-20-7-8-24-15(20)21)19-13(12)11-3-2-4-16-9-11/h10-11,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyQTNOVOXWCBXTCW-UHFFFAOYSA-N
MW369.45 g/mol
LogP0.21
Rot. Bonds6

About 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 70735139) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID70735139
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC Name3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1cnc(NCCN2CCOC2=O)nc1C1CCCNC1
InChIInChI=1S/C15H23N5O4S/c1-25(22,23)12-10-18-14(17-5-6-20-7-8-24-15(20)21)19-13(12)11-3-2-4-16-9-11/h10-11,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyQTNOVOXWCBXTCW-UHFFFAOYSA-N
XLogP0.21
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154884571
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 95893655
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 70716018
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 95874828
N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
5-methylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-piperidin-3-ylpyrimidin-2-amine
CID 70753406
1-methyl-4-[[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]methyl]piperidin-4-ol
CID 70779319
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 95894728
1-methyl-4-[[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]methyl]piperidin-4-ol;dihydrochloride
CID 154891310
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 70736895

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one (CID 70735139) is 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one is CS(=O)(=O)c1cnc(NCCN2CCOC2=O)nc1C1CCCNC1.
What is the InChIKey of 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is QTNOVOXWCBXTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S/c1-25(22,23)12-10-18-14(17-5-6-20-7-8-24-15(20)21)19-13(12)11-3-2-4-16-9-11/h10-11,16H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 369.45 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70735139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).