(5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one

C15H22N4O4S — CID 124978868

IUPAC(5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(c2nccnc2CC2CCN(S(C)(=O)=O)CC2)C(=O)O1
InChIInChI=1S/C15H22N4O4S/c1-11-10-19(15(20)23-11)14-13(16-5-6-17-14)9-12-3-7-18(8-4-12)24(2,21)22/h5-6,11-12H,3-4,7-10H2,1-2H3/t11-/m0/s1
InChIKeyLWXYTEGRHKPMJZ-NSHDSACASA-N
MW354.43 g/mol
LogP1.04
Rot. Bonds4

About (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one

(5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 124978868) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID124978868
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name(5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(c2nccnc2CC2CCN(S(C)(=O)=O)CC2)C(=O)O1
InChIInChI=1S/C15H22N4O4S/c1-11-10-19(15(20)23-11)14-13(16-5-6-17-14)9-12-3-7-18(8-4-12)24(2,21)22/h5-6,11-12H,3-4,7-10H2,1-2H3/t11-/m0/s1
InChIKeyLWXYTEGRHKPMJZ-NSHDSACASA-N
XLogP1.04
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole
CID 110130955
2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine
CID 124968603
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one
CID 141348613
5-methyl-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 102338604
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102090
2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
CID 110257699
4-[(1-methylsulfonylpiperidin-4-yl)methyl]benzoic acid
CID 90488105
5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110099063
4-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110112210
3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110101968

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 124978868) is (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one is C[C@H]1CN(c2nccnc2CC2CCN(S(C)(=O)=O)CC2)C(=O)O1.
What is the InChIKey of (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is LWXYTEGRHKPMJZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-11-10-19(15(20)23-11)14-13(16-5-6-17-14)9-12-3-7-18(8-4-12)24(2,21)22/h5-6,11-12H,3-4,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
(5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 354.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 124978868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).