N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide

C14H28N2O4S — CID 90607519

IUPACN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C14H28N2O4S/c1-13(2)21(17,18)16(14-3-9-19-10-4-14)6-5-15-7-11-20-12-8-15/h13-14H,3-12H2,1-2H3
InChIKeyCAOWOKBWIQSZOH-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.54
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide

N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide (PubChem CID 90607519) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide
PubChem CID90607519
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C14H28N2O4S/c1-13(2)21(17,18)16(14-3-9-19-10-4-14)6-5-15-7-11-20-12-8-15/h13-14H,3-12H2,1-2H3
InChIKeyCAOWOKBWIQSZOH-UHFFFAOYSA-N
XLogP0.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-1-phenylmethanesulfonamide
CID 90607497
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propane-2-sulfonamide
CID 64584958
3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 90607489
methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate
CID 90607533
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)naphthalene-2-sulfonamide
CID 90607494
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propanamide
CID 90607283
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 90607520
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenoxypropanamide
CID 90607349
N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine
CID 174194198
2-[cyclopropyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 60834823
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide (CID 90607519) is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(CCN1CCOCC1)C1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide?
The InChIKey is CAOWOKBWIQSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-13(2)21(17,18)16(14-3-9-19-10-4-14)6-5-15-7-11-20-12-8-15/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide?
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide has a molecular weight of 320.46 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 90607519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).