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

C9H18N2O4S — CID 110710159

IUPACN-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CN(C)C(=O)CO1
InChIInChI=1S/C9H18N2O4S/c1-3-4-16(13,14)10-5-8-6-11(2)9(12)7-15-8/h8,10H,3-7H2,1-2H3
InChIKeyYBYLUXHLQSUWIH-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.83
Rot. Bonds5

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

N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 110710159) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide
PubChem CID110710159
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC NameN-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CN(C)C(=O)CO1
InChIInChI=1S/C9H18N2O4S/c1-3-4-16(13,14)10-5-8-6-11(2)9(12)7-15-8/h8,10H,3-7H2,1-2H3
InChIKeyYBYLUXHLQSUWIH-UHFFFAOYSA-N
XLogP-0.83
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 ≤ 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-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide (CID 110710159) is N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CN(C)C(=O)CO1.
What is the InChIKey of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is YBYLUXHLQSUWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-4-16(13,14)10-5-8-6-11(2)9(12)7-15-8/h8,10H,3-7H2,1-2H3.
What are the key properties of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide?
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of -0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 110710159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).