2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide

C10H20N2O4S — CID 164634609

IUPAC2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC[C@H]1CN(C)C(=O)CO1
InChIInChI=1S/C10H20N2O4S/c1-8(2)7-17(14,15)11-4-9-5-12(3)10(13)6-16-9/h8-9,11H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyZXHJVYFLVMILDR-VIFPVBQESA-N
MW264.35 g/mol
LogP-0.58
Rot. Bonds5

About 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide

2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide (PubChem CID 164634609) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide
PubChem CID164634609
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC[C@H]1CN(C)C(=O)CO1
InChIInChI=1S/C10H20N2O4S/c1-8(2)7-17(14,15)11-4-9-5-12(3)10(13)6-16-9/h8-9,11H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyZXHJVYFLVMILDR-VIFPVBQESA-N
XLogP-0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide (CID 164634609) is 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide is CC(C)CS(=O)(=O)NC[C@H]1CN(C)C(=O)CO1.
What is the InChIKey of 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is ZXHJVYFLVMILDR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(2)7-17(14,15)11-4-9-5-12(3)10(13)6-16-9/h8-9,11H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide?
2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2R)-4-methyl-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 164634609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).