2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide

C10H20N2O4S — CID 47481643

IUPAC2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCCS(C)(=O)=O)CCO1
InChIInChI=1S/C10H20N2O4S/c1-9-8-12(5-6-16-9)10(13)11-4-3-7-17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyMBNSYYJURGZRBM-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.15
Rot. Bonds4

About 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide

2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide (PubChem CID 47481643) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide
PubChem CID47481643
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCCS(C)(=O)=O)CCO1
InChIInChI=1S/C10H20N2O4S/c1-9-8-12(5-6-16-9)10(13)11-4-3-7-17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyMBNSYYJURGZRBM-UHFFFAOYSA-N
XLogP-0.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide (CID 47481643) is 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide is CC1CN(C(=O)NCCCS(C)(=O)=O)CCO1.
What is the InChIKey of 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide?
The InChIKey is MBNSYYJURGZRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9-8-12(5-6-16-9)10(13)11-4-3-7-17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide?
2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfonylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 47481643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).