N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide

C9H18N2O4S — CID 110726007

IUPACN-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(C(C)C)C(=O)O1
InChIInChI=1S/C9H18N2O4S/c1-4-16(13,14)10-5-8-6-11(7(2)3)9(12)15-8/h7-8,10H,4-6H2,1-3H3
InChIKeyCCJCGKTVJXDCSY-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.15
Rot. Bonds5

About N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide

N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide (PubChem CID 110726007) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
PubChem CID110726007
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC NameN-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(C(C)C)C(=O)O1
InChIInChI=1S/C9H18N2O4S/c1-4-16(13,14)10-5-8-6-11(7(2)3)9(12)15-8/h7-8,10H,4-6H2,1-3H3
InChIKeyCCJCGKTVJXDCSY-UHFFFAOYSA-N
XLogP0.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
CID 110726039
5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 45096024
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
CID 110315632
4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110726023
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanesulfonamide
CID 16922720
4-tert-butyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110725947
N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]-4-propan-2-ylbenzamide
CID 110725938
N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]oxolane-2-carboxamide
CID 110725921
[(5S)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 2793770
(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 15320772
(5R)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 142143749

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide (CID 110726007) is N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CN(C(C)C)C(=O)O1.
What is the InChIKey of N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide?
The InChIKey is CCJCGKTVJXDCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-4-16(13,14)10-5-8-6-11(7(2)3)9(12)15-8/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide?
N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 110726007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).