N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide

C11H22N2O4S — CID 110348789

IUPACN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H22N2O4S/c1-4-18(15,16)12-10(9(2)3)11(14)13-5-7-17-8-6-13/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyQSNAAYKVZQLUGQ-JTQLQIEISA-N
MW278.37 g/mol
LogP-0.19
Rot. Bonds5

About N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide

N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide (PubChem CID 110348789) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide
PubChem CID110348789
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](C(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C11H22N2O4S/c1-4-18(15,16)12-10(9(2)3)11(14)13-5-7-17-8-6-13/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyQSNAAYKVZQLUGQ-JTQLQIEISA-N
XLogP-0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide (CID 110348789) is N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide is CCS(=O)(=O)N[C@H](C(=O)N1CCOCC1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide?
The InChIKey is QSNAAYKVZQLUGQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-4-18(15,16)12-10(9(2)3)11(14)13-5-7-17-8-6-13/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide?
N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]ethanesulfonamide is sourced from PubChem (CID 110348789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).