N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide

C14H22N2O3S — CID 110706002

IUPACN-benzyl-N-propan-2-ylmorpholine-4-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-13(2)16(12-14-6-4-3-5-7-14)20(17,18)15-8-10-19-11-9-15/h3-7,13H,8-12H2,1-2H3
InChIKeyIUVGMWGGHMCCJM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.47
Rot. Bonds5

About N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide

N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide (PubChem CID 110706002) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylmorpholine-4-sulfonamide
PubChem CID110706002
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-benzyl-N-propan-2-ylmorpholine-4-sulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H22N2O3S/c1-13(2)16(12-14-6-4-3-5-7-14)20(17,18)15-8-10-19-11-9-15/h3-7,13H,8-12H2,1-2H3
InChIKeyIUVGMWGGHMCCJM-UHFFFAOYSA-N
XLogP1.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-propan-2-ylmorpholine-4-sulfonamide
CID 43574633
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
4-(1-aminoethyl)-N-benzyl-N-methylpiperidine-1-sulfonamide
CID 63594648
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide
CID 172615015
N-benzyl-1-bromo-N-propan-2-ylmethanesulfonamide
CID 83084025
(2R)-2-[benzyl-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypropanamide
CID 18727267
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 18190315
(2S)-2-amino-N-(4-iodo-3-oxo-1-phenylbutan-2-yl)-4-methyl-N-morpholin-4-ylsulfonylpentanamide
CID 57048405

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide?
The IUPAC name of N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide (CID 110706002) is N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide.
What is the SMILES notation for N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide?
The canonical SMILES for N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide?
The InChIKey is IUVGMWGGHMCCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-13(2)16(12-14-6-4-3-5-7-14)20(17,18)15-8-10-19-11-9-15/h3-7,13H,8-12H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide?
N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide is sourced from PubChem (CID 110706002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).