N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide

C9H18N2O4S — CID 58935368

IUPACN-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide
SMILESCC[C@H](NS(C)(=O)=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O4S/c1-3-8(10-16(2,13)14)9(12)11-4-6-15-7-5-11/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyOUEBICQEKSLUDT-QMMMGPOBSA-N
MW250.32 g/mol
LogP-0.83
Rot. Bonds4

About N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide

N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide (PubChem CID 58935368) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide
PubChem CID58935368
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC NameN-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide
SMILESCC[C@H](NS(C)(=O)=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O4S/c1-3-8(10-16(2,13)14)9(12)11-4-6-15-7-5-11/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyOUEBICQEKSLUDT-QMMMGPOBSA-N
XLogP-0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide (CID 58935368) is N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide is CC[C@H](NS(C)(=O)=O)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide?
The InChIKey is OUEBICQEKSLUDT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-8(10-16(2,13)14)9(12)11-4-6-15-7-5-11/h8,10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide?
N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide is sourced from PubChem (CID 58935368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).