N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide

C10H23N3O3S — CID 55167597

IUPACN-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(N)CCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H23N3O3S/c1-8(11)4-5-12-17(14,15)13-6-9(2)16-10(3)7-13/h8-10,12H,4-7,11H2,1-3H3
InChIKeyMATNSCHSTFYULI-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.33
Rot. Bonds5

About N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 55167597) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID55167597
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(N)CCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H23N3O3S/c1-8(11)4-5-12-17(14,15)13-6-9(2)16-10(3)7-13/h8-10,12H,4-7,11H2,1-3H3
InChIKeyMATNSCHSTFYULI-UHFFFAOYSA-N
XLogP-0.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 55167597) is N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide is CC(N)CCNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is MATNSCHSTFYULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-8(11)4-5-12-17(14,15)13-6-9(2)16-10(3)7-13/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 55167597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).