N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine

C13H28N2O3S — CID 102746509

IUPACN-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H28N2O3S/c1-6-7-14-8-9-19(16,17)15-10-12(2,3)18-13(4,5)11-15/h14H,6-11H2,1-5H3
InChIKeyQLRPWIKMVBRVER-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.21
Rot. Bonds6

About N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine

N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine (PubChem CID 102746509) has the molecular formula C13H28N2O3S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine
PubChem CID102746509
Molecular FormulaC13H28N2O3S
Molecular Weight292.45 g/mol
Exact Mass292.18
IUPAC NameN-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C13H28N2O3S/c1-6-7-14-8-9-19(16,17)15-10-12(2,3)18-13(4,5)11-15/h14H,6-11H2,1-5H3
InChIKeyQLRPWIKMVBRVER-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.21
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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Related Compounds

N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine
CID 102744605
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine
CID 114414040
N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
CID 113419411
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(propylamino)ethanesulfonamide
CID 106088443
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]ethanesulfonamide
CID 136534686
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-N-propylbutan-1-amine
CID 107460039
N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 102746059
N-ethyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102743439
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine
CID 102744838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine (CID 102746509) is N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine is CCCNCCS(=O)(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine?
The InChIKey is QLRPWIKMVBRVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-6-7-14-8-9-19(16,17)15-10-12(2,3)18-13(4,5)11-15/h14H,6-11H2,1-5H3.
What are the key properties of N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine?
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine is sourced from PubChem (CID 102746509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).