(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide

C16H21N3O3S — CID 97022621

IUPAC(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
SMILESC[C@@H]1SCCN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@@H]1C
InChIInChI=1S/C16H21N3O3S/c1-11-12(2)23-9-7-18(11)15(20)17-13-4-3-5-14(10-13)19-6-8-22-16(19)21/h3-5,10-12H,6-9H2,1-2H3,(H,17,20)/t11-,12+/m1/s1
InChIKeyNFNXZRHPJGWWAN-NEPJUHHUSA-N
MW335.43 g/mol
LogP3.00
Rot. Bonds2

About (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide

(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide (PubChem CID 97022621) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
PubChem CID97022621
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
SMILESC[C@@H]1SCCN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@@H]1C
InChIInChI=1S/C16H21N3O3S/c1-11-12(2)23-9-7-18(11)15(20)17-13-4-3-5-14(10-13)19-6-8-22-16(19)21/h3-5,10-12H,6-9H2,1-2H3,(H,17,20)/t11-,12+/m1/s1
InChIKeyNFNXZRHPJGWWAN-NEPJUHHUSA-N
XLogP3.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022624
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
(2R)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 95157820
(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 96541607
(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 52539601
2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide
CID 51115399
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
tert-butyl N-[[(2S)-4-methyl-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]piperazin-2-yl]methyl]carbamate
CID 96538336
2,2,3,3-tetrafluoro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 103732683
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide (CID 97022621) is (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide is C[C@@H]1SCCN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@@H]1C.
What is the InChIKey of (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is NFNXZRHPJGWWAN-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-12(2)23-9-7-18(11)15(20)17-13-4-3-5-14(10-13)19-6-8-22-16(19)21/h3-5,10-12H,6-9H2,1-2H3,(H,17,20)/t11-,12+/m1/s1.
What are the key properties of (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide?
(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 97022621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).