N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C14H20N2O4S — CID 892336

IUPACN-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)16(11-13-5-3-2-4-6-13)12-14(17)15-7-9-20-10-8-15/h2-6H,7-12H2,1H3
InChIKeyYEBSOLNVYCEFOI-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.31
Rot. Bonds5

About N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 892336) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID892336
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O4S/c1-21(18,19)16(11-13-5-3-2-4-6-13)12-14(17)15-7-9-20-10-8-15/h2-6H,7-12H2,1H3
InChIKeyYEBSOLNVYCEFOI-UHFFFAOYSA-N
XLogP0.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 892336) is N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is YEBSOLNVYCEFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-21(18,19)16(11-13-5-3-2-4-6-13)12-14(17)15-7-9-20-10-8-15/h2-6H,7-12H2,1H3.
What are the key properties of N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 892336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).